5KAG
Crystal structure of a dioxygenase in the Crotonase superfamily in P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 138.959, 170.447, 156.283 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 43.637 - 2.456 |
| R-factor | 0.2154 |
| Rwork | 0.212 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2np9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS (OSX10.9.5_Darwin13.4.0) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.637 | 2.500 |
| High resolution limit [Å] | 2.456 | 2.456 |
| Rmerge | 0.078 | 0.410 |
| Number of reflections | 263454 | |
| <I/σ(I)> | 10.6 | 2.7 |
| Completeness [%] | 98.5 | 90.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 95 mM Na HEPES, 0.94 M NaCl and 1.3 M (NH4)2SO4, pH 7.5 |
