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 |