6ZSK

Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 3
Unit cell lengths	105.490, 105.490, 105.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 1.600
R-factor	0.182
Rwork	0.181
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Refined from PDB 6HIH
RMSD bond length	0.014
RMSD bond angle	2.219
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.220	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.069	2.730
Number of reflections	51778	2607
<I/σ(I)>	26.3	1.4
Completeness [%]	100.0	100
Redundancy	20	20.5
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	2 microlitres of 15 mg/ml protein in 0.1 M HEPES buffer, pH 7.5, mixed with with an equivalent volume of reservoir solution containing 0.01 M ZnSO4, 35% PEG 550 (v/v) and 0.1 M MES, pH 6.5. Cryoprotection in ML plus 10% glycerol