1ZYU
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-19 |
| Detector | BRUKER PROTEUM 300 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 59.954, 59.954, 102.666 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.780 - 2.900 |
| R-factor | 0.1981 |
| Rwork | 0.198 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l4u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.780 | 3.030 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.128 | 0.303 |
| Number of reflections | 4580 | |
| <I/σ(I)> | 9.2 | 1.7 |
| Completeness [%] | 86.0 | 44.7 |
| Redundancy | 4.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | PEG 3000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
