6Q1Q
A hypothetical aminotransferase from Mycobacterium tuberculosis, apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.383, 66.486, 97.510 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 48.755 - 2.400 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k3w |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.649 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.134 | 0.081 | 0.455 |
| Rmeas | 0.157 | 0.095 | 0.536 |
| Rpim | 0.080 | 0.048 | 0.280 |
| Total number of observations | 89973 | ||
| Number of reflections | 24452 | 1289 | 1202 |
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 99.8 | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 | 3.4 |
| CC(1/2) | 0.990 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | sodium citrate, sodium cacodylate |
