6GM4

[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S319A

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	2015-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000060
Spacegroup name	P 1 21 1
Unit cell lengths	90.070, 73.330, 103.250
Unit cell angles	90.00, 96.46, 90.00

Refinement procedure

Resolution	46.837 - 1.970
R-factor	0.1662
Rwork	0.164
R-free	0.20150
RMSD bond length	0.008
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.206	48.206	2.020
High resolution limit [Å]	1.970	8.810	1.970
Rmerge	0.134	0.041	0.855
Number of reflections	94650
<I/σ(I)>	10.98	39.03	2.01
Completeness [%]	99.9	99.2	100
Redundancy	6.74
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	21% PEG 4000, 0.4 M MgCl2,0.1 M MES, 19 % glycerol