2IYR
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate
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 | 2006-02-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.444, 41.836, 44.408 |
| Unit cell angles | 90.00, 113.99, 90.00 |
Refinement procedure
| Resolution | 41.850 - 1.980 |
| R-factor | 0.169 |
| Rwork | 0.165 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyq |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.597 |
| 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] | 19.540 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 19559 | |
| <I/σ(I)> | 5.97 | 1.48 |
| Completeness [%] | 96.1 | 92.9 |
| Redundancy | 2.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 170MM NA ACETATE, 15%(V/V) GLYCEROL, 25.5%(W/V) PEG 4000, 85MM TRIS-HCL PH 8.5 |
