4A7K
Bifunctional Aldos-2-ulose dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 132.990, 79.740, 96.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.970 - 2.000 |
| R-factor | 0.17416 |
| Rwork | 0.172 |
| R-free | 0.21907 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.815 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE (PHASER PIRATE) |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.470 |
| Number of reflections | 67041 | |
| <I/σ(I)> | 11.1 | 2.2 |
| Completeness [%] | 96.0 | 85 |
| Redundancy | 4.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1 M MES, PH 6, 0.2 M MGCL2, 16% PEG6000 |
