1WE2
Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with MGADP and shikimic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.431 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 62.910, 62.910, 90.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l4y |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.905 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.922 | 2.410 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.028 | 0.059 |
| Number of reflections | 9563 | |
| <I/σ(I)> | 16 | 8.3 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | NA-HEPES, MAGNESIUM CHOLORIDE, PEG 3350, ADENOSINE-5'-DIPHOSPHATE, SHIKIMIC ACID, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
