5D2K
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and 2-oxoadipate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.461 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.328, 44.411, 81.623 |
| Unit cell angles | 90.00, 118.68, 90.00 |
Refinement procedure
| Resolution | 40.780 - 1.571 |
| R-factor | 0.1518 |
| Rwork | 0.150 |
| R-free | 0.17540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eb4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.152 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.780 | 1.600 |
| High resolution limit [Å] | 1.571 | 1.571 |
| Rmerge | 0.054 | 0.177 |
| Number of reflections | 69868 | |
| <I/σ(I)> | 29.704 | 7.972 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | sodium acetate trihydrate, PEG 4000 |
