9PBU

Crystal structure of Rv0097 F102A variant in apo state

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	2024-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	87.905, 62.442, 58.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.650 - 1.730
R-factor	0.197
Rwork	0.195
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.221
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	1.830
High resolution limit [Å]	1.730	1.730
Number of reflections	33859	5341
<I/σ(I)>	29.9
Completeness [%]	97.9
Redundancy	12.2
CC(1/2)	1.000	0.954

Crystallization Conditions

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