9E1J

Alpha-Delta heterodimeric form of soluble hydrogenase I from Pyrococcus furiosus. Data processed and model refined in P21221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-15
Detector	MAR CCD 300 mm
Wavelength(s)	1.34
Spacegroup name	P 21 2 21
Unit cell lengths	94.291, 111.188, 141.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.910 - 2.600
R-factor	0.2584
Rwork	0.256
R-free	0.31280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.257
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	87815	4457
<I/σ(I)>	12.2
Completeness [%]	98.9
Redundancy	14.5
CC(1/2)	0.991	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	50 mM potassium phosphate pH 7.5, 150 mM NaCl, and 30% PEG 3350