4R4G

Crystal structure of a putative lipoprotein (ycdA) from Bacillus subtilis subsp. subtilis str. 168 at 2.62 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	2014-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97971,0.91837,0.97926
Spacegroup name	P 65 2 2
Unit cell lengths	98.653, 98.653, 195.018
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.327 - 2.620
R-factor	0.2147
Rwork	0.213
R-free	0.23890
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	XSCALE (January 10, 2014 BUILT=20140307)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.327		2.710
High resolution limit [Å]	2.620	5.610	2.620
Rmerge	0.090	0.023	0.023
Rmeas		0.031	2.396
Number of reflections	17632	1992	1638
<I/σ(I)>	22.88	64.8	1.8
Completeness [%]	99.8	99.3	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	50.0% polyethylene glycol 200, 0.1M TRIS pH 7.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K