9VZZ

Crystal structure of Rv2514c from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2023-10-24
Detector	RAYONIX MX-225
Wavelength(s)	0.97893
Spacegroup name	I 2 3
Unit cell lengths	184.981, 184.981, 184.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.440 - 2.600
R-factor	0.1643
Rwork	0.161
R-free	0.21519
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.171
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.136	0.962
Rmeas	0.139	0.981
Rpim	0.028	0.194
Total number of observations		99943
Number of reflections	32410	3929
<I/σ(I)>	21.3	4.5
Completeness [%]	100.0
Redundancy	25.4	25.4
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.5 M Ammonium sulfate, 0.1 M Tris pH 8.5, 12% v/v Glycerol