1SXV
1.3A Crystal structure of rv3628, Mycobacterium tuberculosis inorganic pyrophosphatase (PPase) at pH5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-03-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93400 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 98.460, 98.460, 97.353 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.500 - 1.300 |
| R-factor | 0.15514 |
| Rwork | 0.154 |
| R-free | 0.16945 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.667 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.500 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.063 | 0.683 |
| Number of reflections | 68086 | |
| <I/σ(I)> | 32 | 3.15 |
| Completeness [%] | 99.2 | 98.2 |
| Redundancy | 8.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.7 M ammonium sulphate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
