3HRP

Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 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	2009-02-19
Detector	MAR MAR325
Wavelength(s)	0.91837,0.97889,0.97824
Spacegroup name	P 21 21 21
Unit cell lengths	51.104, 84.915, 94.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 1.700
R-factor	0.17
Rwork	0.169
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.279
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.490	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.078	0.614
Number of reflections	45480
<I/σ(I)>	8.78	1.5
Completeness [%]	97.7	93
Redundancy	4.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.64	277	32.0000% 2-methyl-2,4-pentanediol, 0.2000M magnesium chloride, 0.1M Imidazole pH 7.64, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K