[phenixbb] Fwd: [ccp4bb] Absence of contact between layers in a crystal

Folmer Fredslund folmerf at gmail.com
Fri Feb 6 05:50:30 PST 2015

Hi all,

As you might have noticed, there is a discussion going on about the
fraudulent 2hr0 pdb deposition on the CCP4BB
Searching for 2hr0 I came across
http://www.phenix-online.org/documentation/reference/cif_as_mtz.html where
2hr0 is used as an example.

Might I suggest that this is changed in the documentation?

Best regards,
Folmer Fredslund

---------- Forwarded message ----------
From: Kerff Fred <fkerff at ulg.ac.be>
Date: 2015-02-06 11:58 GMT+01:00
Subject: [ccp4bb] Absence of contact between layers in a crystal
To: CCP4BB at jiscmail.ac.uk


Looking at structure 2HR0 ("The structure of complement C3b provides
insights into complement activation and regulation. »,Abdul Ajees, A.,
Gunasekaran, K.,  Volanakis, J.E.,  Narayana, S.V.,  Kotwal, G.J.,  Krishna
Murthy, H.M.;  (2006) Nature 444: 221-225), I noticed the absence of
contacts between layers in the crystal. Is it something that has already
been observed in other crystals?

Best regards,

Frédéric Kerff
Chercheur qualifié F.R.S.-FNRS
Cristallographie des protéines
Centre d'Ingénierie des Protéines
Université de Liège
17, Allée du 6 Août - Bat B5a
4000 Liège (Belgium)
Tel.: +32 (0)4 3663620
Fax: +32 (0)4 3663772

> Le 6 févr. 2015 à 10:12, Tim Gruene <tg at SHELX.UNI-AC.GWDG.DE> a écrit :
> Hash: SHA1
> Dear Smith,
> The sca file most likely does not contain flags. pointless can read
> the sca file, standardise it to ccp4 standards and freerflag marks
> random reflections. You should use the maximum of 500 unique
> reflections or 5% of the unique reflections, whichever is larger.
> Best,
> Tim
> On 02/06/2015 09:49 AM, Smith Lee wrote:
>> Dear All, I have a sca file. Will you please tell me by which
>> software or how I can know whether the sca file contains R-free
>> tags? If not, by which software or how I can add the R-free tags?
>> And how much of the reflections I add the R-free tags? I am looking
>> forward to getting your reply. Smith
> - --
> - --
> Dr Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
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> Version: GnuPG v1.4.12 (GNU/Linux)
> iD8DBQFU1IWVUxlJ7aRr7hoRAmZHAJ4+6wREnwkFN0EhfErAA0tPSopKKwCgiLdi
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> =XN57

Folmer Fredslund
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