5D2R

Inhibitor Bound Cell Shape Determinant Protein Csd4 from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	52.840, 66.610, 144.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.028 - 1.900
R-factor	0.1824
Rwork	0.180
R-free	0.21940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4wck
RMSD bond length	0.009
RMSD bond angle	1.203
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.030		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.092	0.031	0.834
Rmeas	0.099	0.034	0.898
Total number of observations	297447
Number of reflections	41021	529	2977
<I/σ(I)>	15.24	42.19	2.58
Completeness [%]	100.0	98.5	100
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	13-18% PEG 3350, 0.015 mM Tris pH 8 and 0.4 M NaI