1L4Y
CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-07-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.860, 63.860, 92.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.030 * |
| R-factor | 0.217 * |
| Rwork | 0.217 |
| R-free | 0.25200 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 1l4u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 20.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 * | 0.410 * |
| Number of reflections | 14820 | |
| <I/σ(I)> | 26.6 | 4.64 |
| Completeness [%] | 99.5 * | 99.9 |
| Redundancy | 5.88 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 288.2 | Gu, Y., (2001) Acta Crystallogr, D57, 1870. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium HEPES | 50 (mM) | pH7.5 |
| 2 | 1 | drop | 0.5 (M) | ||
| 3 | 1 | drop | 5.0 (mM) | ||
| 4 | 1 | drop | sgikimate acid | 5.0 (mM) | |
| 5 | 1 | drop | ADP | 5.0 (mM) | |
| 6 | 1 | drop | protein | 7.0 (mg/ml) | |
| 7 | 1 | reservoir | PEG4000 | 20 (%) | |
| 8 | 1 | reservoir | 2-propanol | 10 (%) | |
| 9 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
