7RYT

Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12712
Spacegroup name	P 21 21 21
Unit cell lengths	93.018, 160.991, 161.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.060 - 2.670
R-factor	0.1805
Rwork	0.179
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pux
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.580
High resolution limit [Å]	2.540	6.890	2.540
Rmerge	0.206	0.062	0.788
Rmeas	0.224	0.067	0.881
Rpim	0.083	0.024	0.379
Total number of observations	465929
Number of reflections	75155	4064	3530
<I/σ(I)>	5.1
Completeness [%]	98.1	98.9	93.8
Redundancy	6.2	6.7	4.3
CC(1/2)		0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M ammonium tartrate dibasic, 18% w/v polyethylene glycol 3350