6JQX

Crystal structure of a hydrogenase from Trichosporon moniliiforme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-20
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	58.113, 93.863, 128.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.775 - 1.672
R-factor	0.155
Rwork	0.154
R-free	0.17350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.730
High resolution limit [Å]	1.670	3.590	1.670
Rmerge	0.103	0.057	0.605
Rmeas	0.110	0.061	0.662
Rpim	0.039	0.021	0.262
Number of reflections	81338	8528	8013
<I/σ(I)>	7.2
Completeness [%]	100.0	99.9	99.9
Redundancy	7.7	7.9	6
CC(1/2)		0.998	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	PEG400, NaCl