1YQ9

Structure of the unready oxidized form of [NiFe] hydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08-26
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	62.750, 93.440, 69.030
Unit cell angles	89.33, 102.41, 90.95

Refinement procedure

Resolution	13.000 - 2.350
R-factor	0.135
Rwork	0.132
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2frv
RMSD bond length	0.009
RMSD bond angle	1.088
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.450
High resolution limit [Å]	2.350	2.350
Number of reflections	58639
<I/σ(I)>	8.4
Completeness [%]	86.2	78.2
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.3	293	PEG8000, sodium chloride, N,N-dimethyl dodecylamine N-oxide, glycerol, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.30