2IYS
Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate, 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 | 2005-06-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 44.105, 44.105, 152.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.090 - 1.400 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iyq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.568 |
| 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] | 19.090 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.490 |
| Number of reflections | 29215 | |
| <I/σ(I)> | 9.97 | 2.53 |
| Completeness [%] | 95.3 | 95.2 |
| Redundancy | 2.9 | 2.8 |
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 |
