7TNV

Crystal Structure Of Human NADH-Cytochrome B5 Reductase T117S Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-27
Detector	RIGAKU SATURN 944
Wavelength(s)	1.541780
Spacegroup name	P 41
Unit cell lengths	65.530, 65.530, 71.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.340 - 1.930
R-factor	0.1829
Rwork	0.181
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1umk
RMSD bond length	0.003
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.070
Rmeas	0.073	1.602
Number of reflections	22991	1640
<I/σ(I)>	21.8	2.55
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)		0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl pH 7.8, PEG 4K 10%