3K3S
Crystal structure of altronate hydrolase (fragment 1-84) from Shigella Flexneri.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 113.968, 40.218, 121.001 |
| Unit cell angles | 90.00, 104.33, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.514 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.095 | 0.535 |
| Number of reflections | 59149 | |
| <I/σ(I)> | 18.184 | 2.6 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 4.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.1 M HEPES pH=7.0, 5% tacsimate pH=7.0, 10% PEG 5K MME, VAPOR DIFFUSION, temperature 293K |
