4R81

NAD(P)H:quinone oxidoreductase from Methanothermobacter marburgensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	56.998, 94.686, 72.126
Unit cell angles	90.00, 93.34, 90.00

Refinement procedure

Resolution	45.967 - 1.500
R-factor	0.1662
Rwork	0.166
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lcm
RMSD bond length	0.006
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER ((PHENIX))
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.340	1.600
High resolution limit [Å]	1.500	1.500
Number of reflections	120455
Completeness [%]	98.8	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M NaCl, 0.1 M Bis-Tris, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K