6PUX

Homoserine transacetylase MetX from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-28
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	47.460, 86.680, 208.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.713 - 1.900
R-factor	0.17
Rwork	0.168
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w8p
Data reduction software	XDS (VERSION Mar 15, 2019)
Data scaling software	XSCALE (VERSION Mar 15, 2019)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.713	44.713	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.143	0.033	1.361
Rmeas	0.154	0.035	1.465
Number of reflections	68862	896	4979
<I/σ(I)>	11.21	40.59	1.29
Completeness [%]	99.8	99.3	99.7
Redundancy	7.373	6.783	7.345
CC(1/2)	0.997	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M Tris-HCl, pH 8.5, 1.8 M Magnesium Sulfate