7WSX

Class III hybrid cluster protein (HCP) C67Y variant from Methanothermobacter marburgensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	64.930, 70.560, 106.340
Unit cell angles	90.00, 106.85, 90.00

Refinement procedure

Resolution	47.290 - 3.000
R-factor	0.2125
Rwork	0.210
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w9m
RMSD bond length	0.004
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.290	47.290	3.100
High resolution limit [Å]	3.000	10.000	3.000
Rmerge	0.122	0.063	0.992
Rmeas	0.131	0.068	1.054
Total number of observations	151031
Number of reflections	18596	530	1725
<I/σ(I)>	11.5	26.3	1.97
Completeness [%]	99.6	98	98.9
Redundancy	8.122	6.977	8.712
CC(1/2)	0.997	0.996	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Ammonium acetate, 0.05 M HEPES-Na, 0.02 M MgCl2, 5% (w/v) PEG8000