4I9F
Crystal structure of glycerol phosphate phosphatase Rv1692 from Mycobacterium tuberculosis in complex with calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.814, 70.318, 97.099 |
| Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.210 |
| R-factor | 0.19373 |
| Rwork | 0.191 |
| R-free | 0.24284 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pdw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 30613 |
| Completeness [%] | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | HEPES (50 mM) pH 7.5 PEG 4000 (10% w/v), Sodium citrate trihydrate (40 mM), and CaCl2 (100 mM), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
