2IYW
Shikimate kinase from Mycobacterium tuberculosis in complex with MgATP, open LID (conf. B)
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 | 2006-08-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.970, 44.581, 51.762 |
| Unit cell angles | 90.00, 109.70, 90.00 |
Refinement procedure
| Resolution | 19.470 - 1.850 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.322 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.470 | 1.990 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.098 | 0.420 |
| Number of reflections | 14156 | |
| <I/σ(I)> | 10.86 | 3.35 |
| Completeness [%] | 98.3 | 98.5 |
| Redundancy | 3.55 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 25%(W/V) PEG 3000, 100MM MES PH 6.5 |
