8AFG
K352D oxalyl-CoA synthetase Pcs60p
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.931, 125.600, 80.495 |
| Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
| Resolution | 47.092 - 2.450 |
| Rwork | 0.206 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.092 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 43458 | 4561 |
| <I/σ(I)> | 5.1 | 1.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.991 | 0.514 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | Ammonium sulfate 0.15M, MES 0.1M pH6, PEG 4000 15%(w/v) |
