3U22

Crystal structure of a putative HmuY_like heme binding protein (BVU_2192) from Bacteroides vulgatus ATCC 8482 at 2.12 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	2011-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922,0.97889
Spacegroup name	P 31 2 1
Unit cell lengths	128.415, 128.415, 110.785
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.487 - 2.120
R-factor	0.1651
Rwork	0.165
R-free	0.17240
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.822
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.487	78.487	2.230
High resolution limit [Å]	2.120	6.700	2.120
Rmerge		0.010	0.010
Total number of observations		10974	49900
Number of reflections	60126
<I/σ(I)>	9.6	12.8	0.7
Completeness [%]	100.0	99.9	100
Redundancy	5.7	5.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M bicine pH 9, 1.6M ammonium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K