6N95
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-08 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.927, 114.421, 193.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.997 - 1.798 |
| Rwork | 0.159 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ef8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.724 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0230) |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.798 | 1.800 |
| Rmerge | 0.165 | 1.395 |
| Rmeas | 0.177 | |
| Rpim | 0.065 | |
| Number of reflections | 178862 | 17657 |
| <I/σ(I)> | 4.9 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 200 mM sodium chloride, 100 mM imidazole, 0.4 Monosodium phosphate/1.6 M Dipotassium phosphate, 4% PEG 400 |
