2O0E
Mycobacterium tuberculosis epsp synthase in complex with S3P and PEP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.467, 72.725, 127.319 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.810 |
| Rwork | 0.129 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o0d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.079 | 0.427 |
| Number of reflections | 34981 | |
| <I/σ(I)> | 17 | 3 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 0.2M Ammonium sulfate ; 30%PEG 6000; 5mM S3P, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
