6GM6

[FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141Q

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	2014-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972958
Spacegroup name	P 32 2 1
Unit cell lengths	70.790, 70.790, 155.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.085 - 1.610
R-factor	0.1657
Rwork	0.164
R-free	0.19920
RMSD bond length	0.007
RMSD bond angle	1.034
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]	48.106	48.085	1.650
High resolution limit [Å]	1.610	7.200	1.610
Rmerge	0.117	0.059	1.216
Number of reflections	59107
<I/σ(I)>	12.42	33.74	2
Completeness [%]	100.0	99.5	100
Redundancy	9.822
CC(1/2)	0.998	0.998	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	15% PEG 4000, 0.6 M NaCl,0.1 M MES