8ZLH

The craystal structure of CcmS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	40.536, 74.627, 93.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.640 - 1.990
R-factor	0.2018
Rwork	0.197
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.620	2.090
High resolution limit [Å]	1.990	1.990
Number of reflections	20318	2894
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	0.999	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Magnesium formate, 20% w/v PEG 3350