6YF4

[FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant E279D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97911
Spacegroup name	P 1 21 1
Unit cell lengths	89.810, 72.020, 102.930
Unit cell angles	90.00, 97.48, 90.00

Refinement procedure

Resolution	47.480 - 1.770
Rwork	0.200
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xdc
RMSD bond length	0.003
RMSD bond angle	0.491
Data reduction software	XDS
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	1.820
High resolution limit [Å]	1.770	1.770
Number of reflections	126645	9218
<I/σ(I)>	8.78
Completeness [%]	99.8
Redundancy	6.2627
CC(1/2)	0.998	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1M Mes-NaOH (pH6), 20%PEG4000, 20% Glycerol, 0.4M MgCl2