4IUB

Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	RAYONIX MX-225
Wavelength(s)	0.91842
Spacegroup name	P 21 21 21
Unit cell lengths	72.903, 95.390, 118.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.050 - 1.610
R-factor	0.13009
Rwork	0.128
R-free	0.16577
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rgw
RMSD bond length	0.008
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.050	1.700
High resolution limit [Å]	1.610	1.610
Rmerge	0.059	0.475
Number of reflections	107786
<I/σ(I)>	14.9	2.9
Completeness [%]	100.0	100
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	283	20-30% PEG3350, 100 mM Bis-Tris methane, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K