4OPM

Crystal structure of a putative lipase (lip1) from Acinetobacter baumannii AYE at 1.70 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	2013-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97895,0.97963,0.91837
Spacegroup name	C 1 2 1
Unit cell lengths	100.398, 66.902, 110.380
Unit cell angles	90.00, 95.58, 90.00

Refinement procedure

Resolution	48.556 - 1.700
R-factor	0.1619
Rwork	0.161
R-free	0.18460
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.556		1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.055	0.027	0.671
Number of reflections	77844	7812	7732
<I/σ(I)>	11.81	31.7	1.6
Completeness [%]	96.9	95.1	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.0500M lithium sulfate, 10.00% Glycerol, 30.00% polyethylene glycol 600, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K