6JQY

Crystal structure of N-terminal domain of VapB46 antitoxin 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	IMAGE PLATE
Collection date	2018-09-28
Detector	MARRESEARCH
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	38.043, 50.548, 42.623
Unit cell angles	90.00, 116.13, 90.00

Refinement procedure

Resolution	21.253 - 1.643
R-factor	0.197
Rwork	0.195
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zlx
RMSD bond length	0.009
RMSD bond angle	1.225
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.267	1.730
High resolution limit [Å]	1.643	1.640
Rmerge		0.608
Rmeas	0.052
Rpim	0.025	0.353
Number of reflections	17661	9093
<I/σ(I)>	18.1	2.4
Completeness [%]	99.2	95.1
Redundancy	4.1	3.7
CC(1/2)		0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.1M Sodium acetate trihydrate pH 4.6, 2M NaCl, 0.1M NaBr