3S0M
A Structural Element that Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-25 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 154.761, 154.761, 121.499 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.610 - 2.310 |
| R-factor | 0.1912 |
| Rwork | 0.186 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.023 |
| Data reduction software | SAINT |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.610 | 2.400 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.186 | 0.473 |
| <I/σ(I)> | 5.43 | 2.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.68 | 4.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 10% w/v polyethylene glycol 6000, 2 M aq. NaCl , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
