8AFF
Wild type oxalyl-CoA synthetase Pcs60p
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-05 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.029, 93.724, 356.488 |
| Unit cell angles | 90.00, 93.81, 90.00 |
Refinement procedure
| Resolution | 29.985 - 2.870 |
| Rwork | 0.227 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.750 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.985 | 2.970 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Number of reflections | 163072 | 8029 |
| <I/σ(I)> | 8.6 | 1.3 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.990 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.2 M LiCl, 0.1M Hepes pH 8.0, 10-16% w/v PEG 3350 |
