7B7T

CooS-V with oxidized hybrid cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	65.768, 107.796, 82.093
Unit cell angles	90.00, 98.66, 90.00

Refinement procedure

Resolution	47.383 - 1.380
R-factor	0.1314
Rwork	0.131
R-free	0.15970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b7q
RMSD bond length	0.012
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.383	1.430
High resolution limit [Å]	1.380	1.380
Number of reflections	228651	22516
<I/σ(I)>	12.8
Completeness [%]	98.8	97.4
Redundancy	6.8
CC(1/2)	0.999	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M Bis-Tris propane (pH 6.5), 0.15 M KSCN and 16-20% (w/v) PEG3350