1TXO
Crystal structure of the Mycobacterium tuberculosis serine/threonine phosphatase PstP/Ppp at 1.95 A.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.12714, 0.97960, 0.95373, 1.8926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.638, 58.757, 73.815 |
| Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
| Resolution | 72.550 - 1.950 |
| R-factor | 0.20057 |
| Rwork | 0.199 |
| R-free | 0.23025 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.076 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.550 | |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.044 | 0.352 |
| Number of reflections | 38658 | |
| <I/σ(I)> | 18.3 | 1.9 |
| Completeness [%] | 98.0 | 98.1 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | PEG 10,000, sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
