9UAI

Crystal structure of cyanobacterial CRD of CmpBCD in the presence of nitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	C 1 2 1
Unit cell lengths	92.271, 49.958, 97.585
Unit cell angles	90.00, 116.70, 90.00

Refinement procedure

Resolution	13.070 - 1.750
R-factor	0.1985
Rwork	0.197
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.026
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.070	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	40083	3967
<I/σ(I)>	11.3
Completeness [%]	99.5
Redundancy	3.6
CC(1/2)	0.997	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.2	12% PEG 20000, 0.1M Tris pH 8.0