2OSD

Crystal structure of a vinyl-4-reductase family protein (mj_1460) from methanocaldococcus jannaschii dsm at 2.40 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	CCD
Collection date	2007-01-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97879, 0.97908
Spacegroup name	P 43 21 2
Unit cell lengths	55.786, 55.786, 118.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.748 - 2.300
R-factor	0.221
Rwork	0.219
R-free	0.24200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.748	29.750	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.084	0.038	0.917
Total number of observations		635	4511
Number of reflections	8939
<I/σ(I)>	6.6	17.1	0.8
Completeness [%]	99.9	94.2	100
Redundancy	6.9	4.9	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	277	NANODROP, 0.2M CaCl2, 20.0% PEG 3350, No Buffer, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K