5U3F
Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-11 |
Detector | RAYONIX MX325HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.892, 80.464, 81.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.265 - 1.695 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ht5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.206 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.695 | 1.695 |
Rmerge | 0.068 | 0.542 |
Number of reflections | 117641 | |
<I/σ(I)> | 12.51 | 2.4 |
Completeness [%] | 91.1 | 98.1 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris, pH 6.5 and 25 % w/v polyethylene glycol 3350 |