8DQY

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	2021-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	25.130, 58.557, 65.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.980 - 2.100
R-factor	0.1676
Rwork	0.165
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ref
RMSD bond length	0.008
RMSD bond angle	1.717
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]	32.980	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.076	0.206
Rmeas	0.089	0.259
Rpim	0.046	0.153
Number of reflections	6087	461
<I/σ(I)>	14.1	5.9
Completeness [%]	99.8	99.2
Redundancy	6.3	4.7
CC(1/2)	0.998	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350