3DTG
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.000, 87.800, 72.900 |
| Unit cell angles | 90.00, 105.80, 90.00 |
Refinement procedure
| Resolution | 17.000 - 1.900 |
| Rwork | 0.238 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dtf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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] | 25.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.093 | 0.350 |
| Number of reflections | 57032 | |
| <I/σ(I)> | 12.8 | 3.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 300 | 100mM MES-HCl pH 5.5, 300mM Lithium sulfate, 30% (w/v) PEG 4000 , VAPOR DIFFUSION, HANGING DROP |
