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 |