6Q1R
A hypothetical aminotransferase from Mycobacterium tuberculosis, PLP-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.431, 203.248, 48.112 |
| Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
| Resolution | 43.485 - 2.702 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q1q |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.754 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.528 | 0.174 | 2.979 |
| Rmeas | 0.600 | 0.196 | 3.516 |
| Rpim | 0.279 | 0.089 | 1.834 |
| Total number of observations | 145983 | ||
| Number of reflections | 34287 | 1749 | 1668 |
| <I/σ(I)> | 2 | ||
| Completeness [%] | 99.1 | 98.8 | 97.3 |
| Redundancy | 4.3 | 4.5 | 3.3 |
| CC(1/2) | 0.962 | 0.121 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | sodium citrate, sodium cacodylate |
