3OJK
Structure of Co-substituted Homoprotocatechuate 2,3-Dioxygenase in complex with 4-nitrocatechol at 1.68 Ang resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.102, 150.395, 95.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.960 - 1.680 |
| R-factor | 0.15443 |
| Rwork | 0.153 |
| R-free | 0.18153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ig9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.190 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.053 | 0.346 |
| Number of reflections | 175180 | |
| <I/σ(I)> | 10.6 | 2.1 |
| Completeness [%] | 97.2 | 91.7 |
| Redundancy | 5.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13% PEG6000, 0.1 M calcium chloride, 0.1 M Tris-HCl. Cryoprotectant 25% PEG400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
