6GL6

apo [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii, variant C377H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976250
Spacegroup name	P 32 2 1
Unit cell lengths	70.730, 70.730, 155.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.905 - 1.800
R-factor	0.1708
Rwork	0.169
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.905	19.905	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.121	0.058	2.008
Rmeas	0.128	0.061	2.116
Total number of observations	805470
Number of reflections	80746	852	5958
<I/σ(I)>	11.6	38.87	1.24
Completeness [%]	99.9	93.5	100
Redundancy	9.975	10.398	10.098
CC(1/2)	0.998	0.997	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1 M MES, 12% PEG 4000, 0.6 M NaCl