3QC2

Crystal structure of a glycosyl hydrolase (BACOVA_03624) from Bacteroides ovatus at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9795,0.9793
Spacegroup name	P 65
Unit cell lengths	137.070, 137.070, 81.042
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.310 - 2.300
R-factor	0.1864
Rwork	0.184
R-free	0.22410
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.310		2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.117	0.042	0.705
Rmeas	0.145	0.052	0.874
Total number of observations	215276
Number of reflections	38497	7650	6671
<I/σ(I)>	8.84	22.5	1.53
Completeness [%]	98.0	98.8	89.6
Redundancy	5.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	40.0% polyethylene glycol 300, 0.1M phosphate-citrate pH 4.2, Additive: 0.003 M fructose, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP