2IYQ
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.135, 64.135, 92.131 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.100 - 1.800 |
| R-factor | 0.19 |
| Rwork | 0.185 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u8a |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.722 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.100 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.860 |
| Number of reflections | 20228 | |
| <I/σ(I)> | 9.62 | 1.63 |
| Completeness [%] | 97.0 | 98.4 |
| Redundancy | 3.08 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 250MM LICL, 20%(W/V) PEG 2000, 100MM TRIS-HCL PH 8.6 |
