2OSO

Crystal structure of a vinyl-4-reductase family protein (mj_1460) from methanocaldococcus jannaschii dsm at 1.90 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	2007-01-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162
Spacegroup name	P 31 2 1
Unit cell lengths	42.100, 42.100, 172.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.736 - 1.900
R-factor	0.192
Rwork	0.189
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2osd
RMSD bond length	0.018
RMSD bond angle	1.615
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.736		1.960
High resolution limit [Å]	1.890	3.230	1.890
Rmerge	0.066	0.039	0.504
Number of reflections	14775
<I/σ(I)>	16.15	35.4	2.5
Completeness [%]	96.0	99.8	69.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	NANODROP, 15.0% Glycerol, 0.17M NaOAc, 25.5% PEG 4000, 0.1M TRIS-HCL pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K