3HQ0
Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas in complex with a product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.900, 97.400, 133.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.222 |
| R-free | 0.26900 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | Native final model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.392 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.111 | 0.576 |
| Number of reflections | 71201 | |
| <I/σ(I)> | 18.864 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2M ammonium fluoride, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
