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

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 Date: 2015-02-06 11:58 GMT+01:00 Subject: [ccp4bb] Absence of contact between layers in a crystal To: [email protected] Hello, 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, Fred ----- 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 a écrit :

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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:

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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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-- Folmer Fredslund