9WGD

Crystal structure of Roseiflexus castenholzii ModA bound to molybdate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 3 2
Unit cell lengths	146.640, 146.640, 146.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.580 - 1.960
R-factor	0.1892
Rwork	0.188
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.20.1-4487)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.580	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	39181	3837
<I/σ(I)>	13.61
Completeness [%]	99.9
Redundancy	66.3
CC(1/2)	0.999	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.8M Sodium phosphate monbasic monhydrate, 0.8M Potassium phosphate monobasic, 0.1M Sodium HEPES pH7.5