6N59

1.0 Angstrom crystal structure of [FeFe]-hydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88
Spacegroup name	P 42 21 2
Unit cell lengths	111.035, 111.035, 103.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.260 - 1.020
R-factor	0.114
Rwork	0.113
R-free	0.13200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c8y
RMSD bond length	0.015
RMSD bond angle	1.314
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13RC2_2986)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.500	1.040
High resolution limit [Å]	1.020	1.020
Rmerge	0.056	0.716
Number of reflections	325291
<I/σ(I)>	51.2	1.4
Completeness [%]	99.6	91.7
Redundancy	16.3	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	298	25% PEG 4000, 0.1 M Sodium acetate (pH 4.6), 0.1 M Sodium sulfate, 1 mM Sodium Dithionite