4Q9A

Crystal structure of a putative GDSL-like lipase (PARMER_00689) from Parabacteroides merdae ATCC 43184 at 2.86 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	2013-11-27
Detector	DECTRIS PILATUS 6M
Spacegroup name	I 4 2 2
Unit cell lengths	128.829, 128.829, 149.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.817 - 2.860
R-factor	0.1847
Rwork	0.182
R-free	0.23230
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.060
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]	48.817	48.817	2.960
High resolution limit [Å]	2.860	6.110	2.860
Rmerge	0.140	0.053	0.763
Number of reflections	14845	1636	1417
<I/σ(I)>	11.62	28.7	2.2
Completeness [%]	99.5	98.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.200M sodium chloride, 40.00% polyethylene glycol 400, 0.1M Na/K phosphate pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K