6YT1

Mtb TMK crystal structure in complex with compound 26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	87.740, 87.740, 112.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.880 - 1.900
R-factor	0.1691
Rwork	0.167
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nrq
RMSD bond length	0.007
RMSD bond angle	0.729
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	1.990
High resolution limit [Å]	1.900	1.900
Rmeas	0.109	0.729
Number of reflections	35305	5324
<I/σ(I)>	22.1
Completeness [%]	98.8
Redundancy	13.7
CC(1/2)	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium tartrate dibasic, 20% w/v Polyethylene glycol 3,350