2IYX
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate 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 | 2005-08-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 59.245, 59.245, 102.797 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.510 - 1.490 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyq |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.795 |
| 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] | 19.510 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.040 | 0.410 |
| Number of reflections | 34443 | |
| <I/σ(I)> | 12.69 | 2.17 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 3.04 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 200MM MGSO4, 20%(W/V) PEG 3350, pH 8.00 |
