5D2J
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and adipate
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) | 1.459 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.774, 44.547, 81.253 |
| Unit cell angles | 90.00, 118.76, 90.00 |
Refinement procedure
| Resolution | 40.595 - 1.718 |
| R-factor | 0.1556 |
| Rwork | 0.154 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eb4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.062 |
| 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] | 40.595 | 1.760 |
| High resolution limit [Å] | 1.718 | 1.718 |
| Rmerge | 0.075 | 0.350 |
| Number of reflections | 51584 | |
| <I/σ(I)> | 15.36 | 3.008 |
| Completeness [%] | 97.3 | 80.6 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | sodium acetate trihydrate, PEG 4000 |
