8DRI

Structure of Rv0455c from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 1 2 1
Unit cell lengths	81.729, 49.475, 99.246
Unit cell angles	90.00, 91.68, 90.00

Refinement procedure

Resolution	32.020 - 2.000
R-factor	0.198
Rwork	0.196
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dqy
RMSD bond length	0.007
RMSD bond angle	1.380
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.020	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	26535	1944
<I/σ(I)>	10.6
Completeness [%]	98.3
Redundancy	3.4
CC(1/2)	0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M HEPES (pH 7.5), 3 M NaCl