3HPY
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas in the complex with 4-methylcatechol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.23985 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.100, 97.600, 133.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.940 |
| Rwork | 0.244 |
| R-free | 0.27800 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | Native final model |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.885 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.071 | 0.754 |
| Number of reflections | 81556 | |
| <I/σ(I)> | 35.92 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.5 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2M ammonium fluoride, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
