3QQW

Crystal structure of a putative lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 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	CCD
Collection date	2010-06-10
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	226.401, 73.826, 149.252
Unit cell angles	90.00, 125.31, 90.00

Refinement procedure

Resolution	29.793 - 2.440
R-factor	0.2031
Rwork	0.202
R-free	0.23130
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.793	29.793	2.530
High resolution limit [Å]	2.440	5.230	2.440
Rmerge	0.050	0.025	0.395
Number of reflections	74753	14397	14734
<I/σ(I)>	11.15	25.8	2.1
Completeness [%]	97.1	96.1	97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.93	293	1.00M lithium chloride, 20.100% polyethylene glycol 6000, 0.1M MES pH 5.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K