4JG9

X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 65 2 2
Unit cell lengths	85.863, 85.863, 236.078
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.925 - 2.425
R-factor	0.1764
Rwork	0.175
R-free	0.20960
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (AutoSol)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.925	2.570
High resolution limit [Å]	2.425	2.425
Rmerge	0.079	0.666
Number of reflections	20467
<I/σ(I)>	13.3	2.9
Completeness [%]	100.0	100
Redundancy	7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.4M Na Citrate, 0.1M HEPES, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K