5KAH
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 139.772, 171.958, 156.111 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 39.028 - 2.779 |
| R-factor | 0.2029 |
| Rwork | 0.198 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2np9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.864 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.028 | 2.830 |
| High resolution limit [Å] | 2.779 | 2.779 |
| Rmerge | 0.110 | 0.540 |
| Number of reflections | 184721 | |
| <I/σ(I)> | 11.8 | 2.6 |
| Completeness [%] | 99.9 | 89.7 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 140 mM ammonium acetate, 14% w/v PEG 4,000, and 100 mM sodium citrate pH 5.6 |
