5D2I
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with calcium and acetate
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 | 2010-09-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.430 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.494, 43.750, 79.495 |
| Unit cell angles | 90.00, 118.21, 90.00 |
Refinement procedure
| Resolution | 26.680 - 1.780 |
| R-factor | 0.1476 |
| Rwork | 0.146 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eb4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.175 |
| 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] | 26.680 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.060 | 0.491 |
| Number of reflections | 45445 | |
| <I/σ(I)> | 29.293 | 2.981 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | sodium acetate trihydrate, PEG 4000 |
