4Q0Y

Crystal structure of a thioesterase-like protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 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	2013-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97935,0.97901
Spacegroup name	P 21 21 21
Unit cell lengths	34.224, 96.134, 118.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.678 - 1.700
R-factor	0.1852
Rwork	0.184
R-free	0.20200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.537
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.678	29.678	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.061	0.026	0.516
Number of reflections	43968	8062	8051
<I/σ(I)>	10.41	31.5	1.8
Completeness [%]	97.8	95.7	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.100M Cadmium Chloride, 30.00% polyethylene glycol 400, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K