1WCF
1.54 A CRYSTAL STRUCTURE OF RV3628, MYCOBACTERIUM TUBERCULOSIS INORGANIC PYROPHOSPHATASE (PPASE) AT PH7.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 96.902, 96.902, 103.312 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.520 - 1.540 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sxv |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.647 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.000 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.080 | 0.600 |
| Number of reflections | 537840 | |
| <I/σ(I)> | 30.24 | 4.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.8M NAKPO4 PH 7.0 |
