4EXR

Crystal structure of a putative lipoprotein (CD1622) from Clostridium difficile 630 at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97903,0.91837,0.97845
Spacegroup name	P 43 2 2
Unit cell lengths	77.631, 77.631, 84.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.639 - 1.850
R-factor	0.1856
Rwork	0.184
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.064
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	PHENIX (1.7.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.639	28.639	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge		0.052	0.817
Total number of observations		1618	8643
Number of reflections	22697
<I/σ(I)>	8.7	12.2	0.9
Completeness [%]	99.7	95.6	100
Redundancy	5.8	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.20M sodium chloride, 40.00% polyethylene glycol 400, 0.1M Na/K phosphate pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K