4NRD

Crystal structure of a putative GDSL-like lipase (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-22
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1
Unit cell lengths	70.941, 70.895, 76.618
Unit cell angles	88.78, 84.70, 60.13

Refinement procedure

Resolution	29.391 - 2.100
R-factor	0.1719
Rwork	0.170
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.391	29.391	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge		0.064	0.463
Total number of observations		1584	10781
Number of reflections	61839
<I/σ(I)>	6	15.4	1.9
Completeness [%]	82.2	82.3	84.3
Redundancy	2.3	2.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.00M lithium chloride, 20.00% polyethylene glycol 6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K