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 |