3MUF
Shikimate kinase from Helicobacter pylori in complex with shikimate-3-phosphate and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2010-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 61 |
| Unit cell lengths | 98.816, 98.816, 42.129 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.2335 |
| Rwork | 0.231 |
| R-free | 0.27694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zui |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.780 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.068 | 0.488 |
| Number of reflections | 10585 | |
| <I/σ(I)> | 29.28 | 2.47 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 11.7 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 18% PEG 8000, 0.1M sodium acetate, 0.1M HEPES, 2% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
