5C6U
Rv3722c aminotransferase from Mycobacterium tuberculosis
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 | CCD |
| Collection date | 2015-03-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.341, 64.788, 51.175 |
| Unit cell angles | 90.00, 101.86, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.830 |
| R-factor | 0.1422 |
| Rwork | 0.140 |
| R-free | 0.17495 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.482 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
| Rmerge | 0.096 | 0.056 | 0.503 |
| Rmeas | 0.112 | 0.065 | 0.619 |
| Rpim | 0.058 | 0.033 | 0.355 |
| Total number of observations | 146991 | ||
| Number of reflections | 40320 | ||
| <I/σ(I)> | 8.8 | 1.97 | |
| Completeness [%] | 99.6 | 99.4 | 93.4 |
| Redundancy | 3.6 | 3.6 | 2.8 |
| CC(1/2) | 0.996 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 0.2 M sodium chloride, 0.1 M sodium phosphate / citric acid buffer, 10% PEG3000 |
