4A7Y
Active site metal depleted aldos-2-ulose dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 132.410, 82.240, 97.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.810 - 2.800 |
| R-factor | 0.18752 |
| Rwork | 0.183 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a7k |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.548 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 23405 | |
| <I/σ(I)> | 5.5 | 2.1 |
| Completeness [%] | 88.5 | 90.3 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M BISTRIS-PROPANE BUFFER, PH 7, 0.2 M NACL, 10% PEG6000. THE CRYSTALS WERE SOAKED IN 10MM ANHYDROFRUCTOSE BEFORE DATA COLLECTION |
