5Y4N

Crystal structure of aerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-02-02
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.820, 98.790, 127.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.955 - 1.690
R-factor	0.1382
Rwork	0.137
R-free	0.16800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.662
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.690
Number of reflections	94000
<I/σ(I)>	12.5
Completeness [%]	96.1
Redundancy	3.7

Crystallization Conditions

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