5KAJ
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 139.723, 170.658, 155.765 |
| Unit cell angles | 90.00, 89.89, 90.00 |
Refinement procedure
| Resolution | 39.558 - 2.681 |
| R-factor | 0.1966 |
| Rwork | 0.193 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2np9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.917 |
| 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] | 39.560 | 2.730 |
| High resolution limit [Å] | 2.681 | 2.681 |
| Rmerge | 0.095 | 0.610 |
| Number of reflections | 203827 | |
| <I/σ(I)> | 15.7 | 3.1 |
| Completeness [%] | 99.8 | 96.4 |
| Redundancy | 7.6 | 7.2 |
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 |
