4RHO

Crystal structure of a hypothetical protein (BPSL2088) from Burkholderia pseudomallei K96243 at 2.25 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	CCD
Collection date	2007-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97937,0.97895
Spacegroup name	P 21 21 21
Unit cell lengths	37.344, 85.704, 156.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.071 - 2.250
R-factor	0.225
Rwork	0.224
R-free	0.24630
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.340
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]	39.071	39.071	2.330
High resolution limit [Å]	2.250	4.830	2.250
Rmerge	0.115	0.053	0.549
Number of reflections	24536	2665	2385
<I/σ(I)>	6.87	14.1	2.2
Completeness [%]	99.0	97.8	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	30.0% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K