5ZLE

Human duodenal cytochrome b (Dcytb) in substrate free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	64.450, 115.940, 48.430
Unit cell angles	90.00, 118.45, 90.00

Refinement procedure

Resolution	42.935 - 2.600
R-factor	0.1991
Rwork	0.197
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o7g
RMSD bond length	0.008
RMSD bond angle	1.170
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.935	42.935	2.760
High resolution limit [Å]	2.600	7.780	2.600
Rmerge	0.010	0.200	7.700
Rmeas	0.010	0.201	7.755
Number of reflections	9644	376	1575
<I/σ(I)>	9.96	47.81	1.06
Completeness [%]	99.3	97.9	99.3
Redundancy	72.377	79.995	68.717
CC(1/2)	0.986	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293	20%(v/v) Jeffamine ED-2003, 0.1 M HEPES