9IUR

Crystal structure of CcmS from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-16
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	P 41
Unit cell lengths	132.963, 132.963, 38.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.040 - 2.350
R-factor	0.2345
Rwork	0.233
R-free	0.27190
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.489
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.040	2.440
High resolution limit [Å]	2.350	2.350
Rpim		0.092
Number of reflections	28219	2948
<I/σ(I)>	13.6	4.6
Completeness [%]	99.4	99.9
Redundancy	4.6
CC(1/2)	0.994	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1 M Tris (pH 7.5), 25% PEG 6000, and 0.6 M LiCl