5YHT
Crystal structure of a phosphatase from Mycobacterium tuberculosis in complex with its substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.664, 142.446, 48.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.800 - 2.870 |
| R-factor | 0.23303 |
| Rwork | 0.229 |
| R-free | 0.27876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zon |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 142.370 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.124 | 0.508 |
| Number of reflections | 14904 | 1464 |
| <I/σ(I)> | 12.74 | 2 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 4.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 1 M Ammonium sulphate |
