6BWH

Crystal structure of Mycoibacterium tuberculosis Rv2983 in complex with PEP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	C 2 2 21
Unit cell lengths	66.170, 110.441, 165.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 2.180
R-factor	0.22168
Rwork	0.219
R-free	0.28101
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bwg
RMSD bond length	0.014
RMSD bond angle	1.709
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.950	2.250
High resolution limit [Å]	2.180	2.180
Number of reflections	32157	2724
<I/σ(I)>	14.5	1
Completeness [%]	100.0
Redundancy	14.7	13.2
CC(1/2)	0.998	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	30% PEG 1500, 3% MPD, 0.2 M MgSO4, 0.1 M sodium acetate pH 5.0