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 |
