7NEB
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M4 mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 146.020, 146.020, 142.115 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 94.470 - 2.200 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q8e |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.216 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 94.470 | 94.470 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.071 | 0.014 | 3.805 |
| Rmeas | 0.083 | 0.017 | 4.406 |
| Rpim | 0.041 | 0.008 | 2.189 |
| Total number of observations | 178796 | 1654 | 11582 |
| Number of reflections | 45188 | 435 | 2910 |
| <I/σ(I)> | 10 | 81.6 | 0.3 |
| Completeness [%] | 98.8 | 96 | 99.4 |
| Redundancy | 4 | 3.8 | 4 |
| CC(1/2) | 0.999 | 1.000 | 0.121 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | HEPES 0.1M pH 7.5; Sodium chloride 3.4M |
