4M8K

Crystal structure of a putative GDSL-like lipase (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 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	2013-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97971,0.91837,0.97908
Spacegroup name	P 1 21 1
Unit cell lengths	49.244, 72.319, 62.900
Unit cell angles	90.00, 91.53, 90.00

Refinement procedure

Resolution	29.142 - 1.900
R-factor	0.1625
Rwork	0.160
R-free	0.20620
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.534
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.142	29.140	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.075	0.026	0.643
Number of reflections	34218	6591	6441
<I/σ(I)>	8.21	24.7	1.33
Completeness [%]	94.9	94.8	90.8
Redundancy			3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M ammonium acetate, 30.0% polyethylene glycol 4000, 0.1M sodium citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K