1FRV

CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE

Experimental procedure

Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1992-09-23
Spacegroup name	P 1
Unit cell lengths	63.600, 93.900, 69.200
Unit cell angles	89.80, 102.90, 90.80

Refinement procedure

Resolution	8.000 - 2.850
R-factor	0.178 *
Structure solution method	MIR WITH AVERAGING
RMSD bond length	0.012
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	BIOMOL ((SCALKB/KBAPLY))
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.500	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.086	0.207
Total number of observations	116003 *
Number of reflections	31053
Completeness [%]	85.5	47.6
Redundancy	3.7	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.6		pH 6.6