2NP9
Crystal structure of a dioxygenase in the Crotonase superfamily
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 | 2006-07-13 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 139.860, 156.660, 171.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.450 |
R-factor | 0.328 |
Rwork | 0.328 |
R-free | 0.35600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNBOUND FORM OF THE ENZYME |
RMSD bond length | 0.008 |
RMSD bond angle | 1.483 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.130 | 0.577 |
Number of reflections | 143933 | |
<I/σ(I)> | 12.8 | |
Completeness [%] | 98.0 | 96.7 |
Redundancy | 1.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 293 | pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 5.60 |