7Y8Z

CcpS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	41.341, 48.607, 84.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.130 - 1.600
Rwork	0.213
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y86
RMSD bond length	0.007
RMSD bond angle	0.938
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.510	1.640
High resolution limit [Å]	1.600	1.600
Rpim	0.040
Number of reflections	23141	2270
<I/σ(I)>	11.7
Completeness [%]	100.0
Redundancy	12.2
CC(1/2)	0.999	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG