2B24
Crystal structure of naphthalene 1,2-dioxygenase from Rhodococcus sp. bound to indole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-01-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 179.358, 179.358, 245.411 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.420 - 3.000 |
R-factor | 0.28728 |
Rwork | 0.287 |
R-free | 0.29992 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b1x |
RMSD bond length | 0.013 |
RMSD bond angle | 1.391 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | DM |
Refinement software | REFMAC (5.1.27) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.420 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.116 | 0.265 |
Number of reflections | 79677 | |
<I/σ(I)> | 12.3 | 5.4 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 5.8 | 4.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 279 | 0.1 M HEPES, PH 7.8, 68% MPD, 40 MG/ML PROTEIN, VAPOR DIFFUSION, HANGING DROP, temperature 279K |