7THG

Crystal Structure Of Human NADH-Cytochrome B5 Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.541780
Spacegroup name	P 41
Unit cell lengths	64.830, 64.830, 71.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.410 - 2.900
R-factor	0.2459
Rwork	0.243
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1umk
RMSD bond length	0.010
RMSD bond angle	1.242
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]	49.050	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.118	1.207
Rmeas	0.130	1.323
Rpim	0.054	0.536
Number of reflections	6909	659
<I/σ(I)>	11.4	1.4
Completeness [%]	98.6	96.63
Redundancy	5.8	6.03
CC(1/2)		0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 4K 30%, 0.1M Na/K PO4 pH 7.6