2DFT
Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and Mg at 2.8 angstrons of resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-25 |
| Detector | RIGAKU |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.619, 62.203, 170.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.170 - 2.800 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.28162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1we2 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 3.754 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.250 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 17057 | |
| Completeness [%] | 99.6 | 19.07 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0,1M tris HCl, pH 8.0, 25% PEG 3350 and 0,1M MgCl2, VAPOR DIFFUSION, temperature 293K |
