6Q1S
A hypothetical aminotransferase from Mycobacterium tuberculosis, alpha-ketoglutarate and PMP bound 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 | 2018-04-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97937 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.545, 202.257, 48.121 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 48.121 - 2.300 |
| R-factor | 0.215 |
| Rwork | 0.205 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q1q |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.603 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.181 | 0.064 | 1.112 |
| Rmeas | 0.211 | 0.074 | 1.362 |
| Rpim | 0.106 | 0.036 | 0.768 |
| Total number of observations | 301172 | ||
| Number of reflections | 83120 | 4314 | 3282 |
| <I/σ(I)> | 2.5 | ||
| Completeness [%] | 97.5 | 99.9 | 78.4 |
| Redundancy | 3.6 | 4.1 | 2.4 |
| CC(1/2) | 0.994 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | sodium citrate, sodium cacodylate |
