7Y86

CcpS mutant

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	44.958, 49.082, 102.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.060 - 1.500
Rwork	0.194
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5us5
RMSD bond length	0.007
RMSD bond angle	0.875
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.000	1.540
High resolution limit [Å]	1.500	1.500
Rpim	0.036	0.773
Number of reflections	36862	2442
<I/σ(I)>	9.9	0.9
Completeness [%]	99.2
Redundancy	11.1
CC(1/2)	0.998	0.290

Crystallization Conditions

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