4MU9

Crystal structure of a putative glycosylhydrolase (BT_3782) from Bacteroides thetaiotaomicron VPI-5482 at 1.89 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	PIXEL
Collection date	2013-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97947,0.97876
Spacegroup name	P 1
Unit cell lengths	50.230, 61.220, 63.750
Unit cell angles	91.43, 90.28, 114.12

Refinement procedure

Resolution	28.033 - 1.890
R-factor	0.152
Rwork	0.150
R-free	0.19160
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.033	28.030	1.960
High resolution limit [Å]	1.890	4.060	1.890
Rmerge	0.079	0.035	0.437
Number of reflections	42443	9631	2651
<I/σ(I)>	6.69	13.3	1.75
Completeness [%]	69.0	86.1	23.1
Redundancy	1.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	20.00% polyethylene glycol 10000, 8.00% ethylene glycol, 0.1M HEPES pH 7.5, 0.005M mannan, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K