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) |