4OTE

Crystal structure of a putative lipoprotein (CD630_1653) from Clostridium difficile 630 at 2.20 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795,0.9116,0.9792
Spacegroup name	P 21 3
Unit cell lengths	120.508, 120.508, 120.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.108 - 2.200
R-factor	0.1987
Rwork	0.197
R-free	0.24040
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.968
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.108	38.108	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge		0.011	0.011
Total number of observations		1783	11227
Number of reflections	29737
<I/σ(I)>	8.4	22.8	1.6
Completeness [%]	99.7	96.4	99.9
Redundancy	5.1	4.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.16M zinc acetate, 20.0% Glycerol, 14.4% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K