3KZS

Crystal structure of glycosyl hydrolase family 5 (NP_809925.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 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	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97870,0.97814
Spacegroup name	H 3 2
Unit cell lengths	261.335, 261.335, 183.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.176 - 2.100
R-factor	0.187
Rwork	0.185
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	0.843
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.176	85.180	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.035	0.656
Total number of observations		28326	127684
Number of reflections	139171
<I/σ(I)>	11.7	16.7	1.1
Completeness [%]	100.0	99.9	99.9
Redundancy	6.4	6.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.20M ammonium sulfate, 40.0% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K