3JZ6
Crystal structure of Mycobacterium smegmatis Branched Chain Aminotransferase in complex with pyridoxal-5'-phosphate at 1.9 angstrom.
Replaces: 3DTHExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.390, 88.590, 72.890 |
| Unit cell angles | 90.00, 105.62, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| Rwork | 0.200 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dtf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.111 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.196 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.185 |
| Number of reflections | 50840 | |
| <I/σ(I)> | 12.7 | 2.3 |
| Completeness [%] | 87.0 | 76 |
| Redundancy | 3.2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 300 | 200mM MES pH 5.5, 50% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
