2IYZ
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate-3-phosphate and ADP
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 | 2006-02-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 59.610, 59.610, 102.911 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.490 - 2.300 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.526 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.490 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.300 |
| Number of reflections | 9427 | |
| <I/σ(I)> | 6.69 | 2.79 |
| Completeness [%] | 95.8 | 98.7 |
| Redundancy | 1.96 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 200MM NH4F,20%(W/V) PEG 3350, pH 8.00 |
