9HS8

Cytochrome c prime beta from Methylococcus capsulatus (Bath) in complex with nitric oxide from proli NONOate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.969
Spacegroup name	P 21 3
Unit cell lengths	107.441, 107.441, 107.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.088 - 1.850
Rwork	0.155
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.553
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.090	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	35508	1741
<I/σ(I)>	11	0.9
Completeness [%]	100.0	100
Redundancy	175.4	137.3
CC(1/2)	0.998	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	Final concentrations: 20 mg/mL protein, 50 mM HEPES pH 7.5, 34 % (v/v) polyethylene glycol 550, 500 mM MES pH 6.5, 5 mM ZnSO4.