6JQW

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	57.691, 93.763, 128.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.842 - 1.437
R-factor	0.1526
Rwork	0.152
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
RMSD bond length	0.008
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.490
High resolution limit [Å]	1.437	3.100	1.440
Rmerge	0.083	0.050	0.573
Rmeas	0.089	0.053	0.621
Rpim	0.032	0.019	0.235
Number of reflections	127185	13279	12563
<I/σ(I)>	7
Completeness [%]	100.0	99.9	99.8
Redundancy	7.5	7.9	6.4
CC(1/2)		0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	PEG400, NaCl