4TTT

Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.968630
Spacegroup name	P 21 21 21
Unit cell lengths	72.774, 95.570, 119.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 1.720
R-factor	0.13554
Rwork	0.134
R-free	0.16458
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rgw
RMSD bond length	0.007
RMSD bond angle	1.155
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	1.810
High resolution limit [Å]	1.720	1.720
Number of reflections	84252
<I/σ(I)>	9.3	2.6
Completeness [%]	99.9	99.7
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		282	20-30% PEG3350, 100 mM Bis-Tris