4EF6
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.120, 70.700, 82.110 |
| Unit cell angles | 90.00, 99.48, 90.00 |
Refinement procedure
| Resolution | 38.290 - 1.940 |
| R-factor | 0.16671 |
| Rwork | 0.164 |
| R-free | 0.21809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cov |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.875 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.290 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.115 | 0.668 |
| Number of reflections | 40119 | |
| <I/σ(I)> | 12 | 1.7 |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 4.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12-14% PEG 3000, 150 mM Li2SO4, 100 mM Imidazole, 2% Ethanol, 5% Glycerol, 20 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
