9PCO

Crystal structure of Rv0097 with 5 mM CADA soaked (CADA not bound) and 5 mM alpha-ketoglutarate soaked (alpha-ketoglutarate bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	88.437, 63.542, 106.594
Unit cell angles	90.00, 97.89, 90.00

Refinement procedure

Resolution	28.390 - 1.820
R-factor	0.1741
Rwork	0.172
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.820	1.820
Number of reflections	708866	115593
<I/σ(I)>	23.1
Completeness [%]	98.5
Redundancy	6.8
CC(1/2)	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	270 mM magnesium acetate, 16% w/v PEG 3350