9HU1

SSX structure of cytochrome c prime beta from Methylococcus capsulatus (Bath)

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	2023-05-17
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.620
Spacegroup name	P 21 3
Unit cell lengths	107.227, 107.227, 107.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.984 - 2.151
Rwork	0.196
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.667
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.820	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	22647	1156
<I/σ(I)>	12.9
Completeness [%]	100.0	100
Redundancy	69.9	58.1
CC(1/2)	0.984	0.279

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.