6VZ6

Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	P 41 2 2
Unit cell lengths	67.495, 67.495, 48.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.860 - 2.100
R-factor	0.1638
Rwork	0.162
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nzx
RMSD bond length	0.014
RMSD bond angle	1.303
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.500	23.863
High resolution limit [Å]	2.100	2.101
Rmerge	0.089
Rmeas	0.096
Rpim	0.033
Number of reflections	6719	6717
<I/σ(I)>	14.3
Completeness [%]	98.0
Redundancy	7.1
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296.15	0.1M succinic acid, 12% PEG6000