4Z70
Crystal structure of inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with Ca ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 102.118, 102.118, 80.426 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.590 - 1.950 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4JQQ |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.000 |
| High resolution limit [Å] | 1.950 |
| Number of reflections | 33886 |
| <I/σ(I)> | 44.2 |
| Completeness [%] | 100.0 |
| Redundancy | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | GROWN IN 9% PEG 4,000, 100 MM HEPES PH 7.0 AND 100 MM CACL2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |
