4UR7
Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.800, 120.140, 74.070 |
| Unit cell angles | 90.00, 112.01, 90.00 |
Refinement procedure
| Resolution | 48.087 - 1.499 |
| R-factor | 0.1637 |
| Rwork | 0.163 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4UR5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.078 |
| 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 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.510 |
| Number of reflections | 214991 | |
| <I/σ(I)> | 15.64 | 2.27 |
| Completeness [%] | 97.7 | 97.4 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | BICINE PH 8.5, SODIUM FORMATE, PEG MME 5000 |
