3W2E

Crystal structure of oxidation intermediate (20 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	57.704, 73.094, 85.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.547 - 2.100
R-factor	0.1789
Rwork	0.175
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.236
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	21466
Completeness [%]	98.4	97.1

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