3N2E
Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2010-04-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 193.910, 71.791, 47.626 |
| Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.530 |
| R-factor | 0.21933 |
| Rwork | 0.217 |
| R-free | 0.26309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zuh |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.018 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.620 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.053 | 0.305 |
| Number of reflections | 21900 | |
| <I/σ(I)> | 26.88 | 4.33 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 0.1M sodium HEPES, 1.2M potassium sodium tartrate tetrahydrate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
