2O0B
Mycobacterium tuberculosis epsp synthase in complex with S3P (partially photolyzed)
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 | 2004-11-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.592, 72.794, 127.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.890 - 1.150 |
| R-factor | 0.12843 |
| Rwork | 0.127 |
| R-free | 0.15352 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g6lt |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.997 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.760 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.106 | 0.497 |
| Number of reflections | 133042 | |
| <I/σ(I)> | 19 | 2 |
| Completeness [%] | 98.5 | 93.8 |
| Redundancy | 5.5 | 2 |
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 |
