3G8Y

CRYSTAL STRUCTURE OF A PUTATIVE HYDROLASE (BVU_4111) FROM BACTEROIDES VULGATUS ATCC 8482 AT 1.90 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97982, 0.97966
Spacegroup name	P 61 2 2
Unit cell lengths	75.903, 75.903, 323.386
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.399 - 1.900
R-factor	0.17
Rwork	0.168
R-free	0.20900
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.544
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.399	29.399	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.143	0.053	0.778
Total number of observations		3487	23246
Number of reflections	44914
<I/σ(I)>	4.824	10.8	1
Completeness [%]	100.0	97.6	100
Redundancy	7.1	5.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	NANODROP, 20.0% PEG 6000, 0.1M Bicine pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K