4UR8
Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with 2-oxoadipic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-08 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.520, 119.030, 74.280 |
| Unit cell angles | 90.00, 112.24, 90.00 |
Refinement procedure
| Resolution | 47.883 - 2.097 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.27210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4UR5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.160 | 0.840 |
| Number of reflections | 76785 | |
| <I/σ(I)> | 8.4 | 2 |
| Completeness [%] | 96.0 | 93 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | BICINE PH 8.5, SODIUM FORMATE, PEG MME 5000 |
