2IYU
Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, open LID (conf. A)
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 | 2005-09-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 44.306, 44.306, 150.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 1.850 |
| R-factor | 0.218 |
| Rwork | 0.214 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iys |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.849 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.810 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.880 |
| Number of reflections | 13255 | |
| <I/σ(I)> | 9.38 | 2.05 |
| Completeness [%] | 98.0 | 99.5 |
| Redundancy | 4.67 | 4.6 |
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 |
