5VQM

Clostridium difficile TcdB-GTD bound to PA41 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-11
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	96.130, 251.740, 224.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.849 - 2.790
R-factor	0.2424
Rwork	0.240
R-free	0.29160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvm 3l5x
RMSD bond length	0.002
RMSD bond angle	0.455
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.850	2.840
High resolution limit [Å]	2.790	2.790
Rmerge	0.161	1.526
Number of reflections	68012	3378
<I/σ(I)>	7.5
Completeness [%]	99.9	99.9
Redundancy	8.5	6.3
CC(1/2)	0.996	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	0.1 M Bis-Tris pH 5.5 1 M NaCl 11% PEG3350