3W2I

Crystal structure of re-oxidized form (60 min) of NADH-cytochrome b5 reductase from pig liver

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	57.613, 72.474, 83.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.719 - 1.810
R-factor	0.1684
Rwork	0.167
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8_1069)
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.810	1.810
Number of reflections	32484
Completeness [%]	98.6	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	70%(v/v) MPD, 0.1M HEPES-NaOH pH 6.5, 25mM NADH, 1mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K