7NEA
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M3 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 | 146.497, 146.497, 143.776 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.130 - 2.000 |
| R-factor | 0.1634 |
| Rwork | 0.161 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gkr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.031 |
| 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] | 95.130 | 95.130 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.045 | 0.015 | 0.897 |
| Rmeas | 0.055 | 0.018 | 1.102 |
| Rpim | 0.030 | 0.010 | 0.623 |
| Total number of observations | 166757 | 1172 | 8871 |
| Number of reflections | 58749 | 444 | 3200 |
| <I/σ(I)> | 11.3 | 47.9 | 1 |
| Completeness [%] | 98.6 | 95.2 | 98.2 |
| Redundancy | 2.8 | 2.6 | 2.8 |
| CC(1/2) | 0.999 | 0.999 | 0.401 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | HEPES 0.1M pH 7.5; Sodium chloride 3.4M |
