3HT5
Crystal Structure of IlvE a Branched Chain Amino Acid Transaminase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 65.454, 85.351, 59.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.190 - 1.900 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hhf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.367 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.200 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.386 |
| Number of reflections | 26897 | |
| <I/σ(I)> | 7.7 | 1.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 298 | 0.05 M HEPES HCL pH 7.0, 1% Trytpone, 12% PEG 3350, under oil, sitting drop, temperature 298K |
