3B8I
Crystal Structure of Oxaloacetate Decarboxylase from Pseudomonas Aeruginosa (PA4872) in complex with oxalate and Mg2+.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 260.065, 83.835, 104.874 |
| Unit cell angles | 90.00, 112.14, 90.00 |
Refinement procedure
| Resolution | 47.600 - 1.900 |
| R-factor | 0.19696 |
| Rwork | 0.191 |
| R-free | 0.24870 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.610 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 | 0.358 |
| Number of reflections | 159433 | |
| <I/σ(I)> | 10.9 | 2.1 |
| Completeness [%] | 97.0 | 77.8 |
| Redundancy | 3.27 | 2.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 18% PEG 3350, 20% glycerol, 0.1M MES, 10 mg/mL protein in 5mM MgCl2, 5mM oxalate, 10mM Na+Hepes pH 7.0; Crystallization drops contained equal volumes of reservoir solution and protein solution, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
