3DTF
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.900, 88.050, 73.170 |
| Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| Rwork | 0.190 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ekf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.320 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.072 | 0.250 |
| Number of reflections | 36343 | |
| <I/σ(I)> | 13 | 4.9 |
| Completeness [%] | 98.0 | 99.3 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 300 | 0.4M Ammonium sulfate, 0.2M MES-HCl pH 5.5, 50% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
