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 |