7VXQ

The Carbon Monoxide Complex of [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 1 21 1
Unit cell lengths	66.390, 122.320, 99.910
Unit cell angles	90.00, 103.11, 90.00

Refinement procedure

Resolution	34.490 - 1.770
R-factor	0.1627
Rwork	0.161
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xvb
RMSD bond length	0.038
RMSD bond angle	2.160
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.770	1.770
Number of reflections	148549	14786
<I/σ(I)>	8.7
Completeness [%]	94.1
Redundancy	1.8
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	283	0.1M Tris-HCl, 20% PEG 10000, 200mM Sodium Chloride, 20% glycerol