6HIH

Cytochrome c prime beta from Methylococcus capsulatus (Bath)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97
Spacegroup name	P 21 3
Unit cell lengths	105.960, 105.960, 105.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.200 - 1.600
R-factor	0.17798
Rwork	0.177
R-free	0.20233
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	2.154
Data reduction software	xia2
Data scaling software	Aimless (0.5.17)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.200	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.930
Rmeas	0.051	1.070
Rpim	0.018	0.510
Number of reflections	52377	3805
<I/σ(I)>	20.9	1.4
Completeness [%]	99.0	99.4
Redundancy	7.6	4
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	15 mg/ml protein mixed with 10 mM ZnSO4, 35% PEG 550, 100 mM MES pH 6.5