2IYV
Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, 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 | 2001-07-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.618, 44.193, 51.289 |
| Unit cell angles | 90.00, 109.13, 90.00 |
Refinement procedure
| Resolution | 19.280 - 1.350 |
| R-factor | 0.14 |
| Rwork | 0.138 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.517 |
| 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] | 19.280 | 1.380 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.070 | 0.570 |
| Number of reflections | 34977 | |
| <I/σ(I)> | 7.35 | 1.64 |
| Completeness [%] | 97.2 | 92.8 |
| Redundancy | 2.51 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 25%(W/V) PEG 3000, 100MM MES PH 6.5 |
