5D2G
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.437 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.766, 45.035, 124.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.452 - 1.897 |
| R-factor | 0.1561 |
| Rwork | 0.153 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eb4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.211 |
| 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] | 40.452 | 1.960 |
| High resolution limit [Å] | 1.897 | 1.897 |
| Rmerge | 0.108 | 0.435 |
| Number of reflections | 18966 | |
| <I/σ(I)> | 10.2 | 1.828 |
| Completeness [%] | 95.7 | 72.6 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | lithium sulfate monohydrate |
