7B97

CooS-V with oxidized hybrid cluster by hydroxylamine for 30 min

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	65.196, 108.170, 82.232
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	48.752 - 1.450
R-factor	0.1346
Rwork	0.134
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b7q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.752	1.510
High resolution limit [Å]	1.450	1.450
Number of reflections	194715	45085
<I/σ(I)>	15.6
Completeness [%]	97.2
Redundancy	6.9
CC(1/2)	1.000	0.770

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