6GM5

[FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141A

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	70.620, 70.620, 154.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.999 - 1.450
R-factor	0.1668
Rwork	0.165
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lx4
RMSD bond length	0.009
RMSD bond angle	1.224
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]	48.000	47.999	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.079	0.043	1.079
Number of reflections	79955
<I/σ(I)>	22.11	60.72	2.24
Completeness [%]	99.8	99.6	97.2
Redundancy	18.38
CC(1/2)	1.000	1.000	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	11% PEG 4000, 0.5 M NaCl,0.1 M MES