5ZLG

Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound 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	2016-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	65.180, 115.570, 48.600
Unit cell angles	90.00, 118.44, 90.00

Refinement procedure

Resolution	43.114 - 2.800
R-factor	0.208
Rwork	0.206
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o7g
RMSD bond length	0.009
RMSD bond angle	1.248
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]	43.114	43.114	2.970
High resolution limit [Å]	2.800	8.370	2.800
Rmerge	1.608	0.327	21.511
Rmeas	0.016	0.329	21.733
Total number of observations	387956
Number of reflections	7824	301	1266
<I/σ(I)>	8.47	37.04	1.03
Completeness [%]	99.3	98	99.7
Redundancy	49.585	56.754	48.807
CC(1/2)	0.967	0.997	0.481

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