3COV
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.973 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.270, 70.920, 81.870 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 47.670 - 1.500 |
| R-factor | 0.17107 |
| Rwork | 0.170 |
| R-free | 0.19547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mop |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.395 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.059 | 0.341 |
| Number of reflections | 86488 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12-14% PEG3000, 100-150 mM Li2SO4, 100 mM imidazole, 2-4% v/v ethanol, 5-10% v/v glycerol and 20 mM MgCl2., pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
