5V2D
Crystal structure of Pseudomonas brassicacearum lignostilbene dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.397, 104.673, 104.709 |
| Unit cell angles | 90.00, 94.79, 90.00 |
Refinement procedure
| Resolution | 48.030 - 1.900 |
| R-factor | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2BIW |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.029 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 104.343 | 48.030 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.018 | 0.495 | |
| Rmeas | 0.056 | 0.022 | 0.603 |
| Rpim | 0.031 | 0.012 | 0.341 |
| Total number of observations | 495497 | 15896 | 71989 |
| Number of reflections | 161021 | ||
| <I/σ(I)> | 16.1 | 50.3 | 2.5 |
| Completeness [%] | 99.0 | 96.4 | 99.8 |
| Redundancy | 3.1 | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 24% PEG 3350, Bis-Tris 100 mM |
