2IYY
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate-3-phosphate and SO4
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 | 2005-08-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 59.349, 59.349, 102.867 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.160 - 1.620 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.651 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.160 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.060 | 0.950 |
| Number of reflections | 25604 | |
| <I/σ(I)> | 5.7 | 1.4 |
| Completeness [%] | 93.8 | 92.5 |
| Redundancy | 2.31 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 200MM MGSO4, 20%(W/V) PEG 3350, pH 8.00 |
