5XBP
Oxygenase component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
Replaces: 5BRCExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.976 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 178.804, 178.804, 242.323 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.711 - 2.900 |
R-factor | 0.2415 |
Rwork | 0.241 |
R-free | 0.28390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ndo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.306 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.711 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.170 | 1.346 |
Rpim | 0.113 | 1.043 |
Number of reflections | 95735 | 4714 |
<I/σ(I)> | 7.4 | |
Completeness [%] | 96.8 | 96.6 |
Redundancy | 5.2 | 3.4 |
CC(1/2) | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M sodium citrate tribasic, 18-20% PEG 3350 |