1UBR

Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-17
Detector	MARRESEARCH
Wavelength(s)	0.700
Spacegroup name	P 21 21 21
Unit cell lengths	98.080, 126.010, 66.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.340
R-factor	0.133 *
Rwork	0.121
R-free	0.17200 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1h2r
RMSD bond length	0.012
RMSD bond angle	0.074
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.577	1.420
High resolution limit [Å]	1.340	1.340
Rmerge	0.090	0.521
Number of reflections	181748
Completeness [%]	98.6	90.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	283	MPD, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 283K