4HF7

Crystal structure of a GDSL-like lipase (BT0569) from Bacteroides thetaiotaomicron VPI-5482 at 1.77 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	2012-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97876,0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	51.201, 110.680, 88.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.470 - 1.770
R-factor	0.1973
Rwork	0.196
R-free	0.21680
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.470	46.470	1.830
High resolution limit [Å]	1.770	3.810	1.770
Rmerge	0.107	0.044	0.599
Number of reflections	24579	2580	2300
<I/σ(I)>	9.27	21.5	2.3
Completeness [%]	98.2	97	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2.40M ammonium sulfate, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K