9GQR
Structure of a consensus-designed decarboxylase (PSC1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.630, 66.276, 72.665 |
| Unit cell angles | 71.67, 73.08, 69.88 |
Refinement procedure
| Resolution | 52.040 - 2.100 |
| R-factor | 0.2159 |
| Rwork | 0.214 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.566 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.040 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.098 | 0.894 |
| Rmeas | 0.129 | 1.175 |
| Rpim | 0.083 | 0.753 |
| Total number of observations | 108429 | 5236 |
| Number of reflections | 50203 | 2692 |
| <I/σ(I)> | 5.1 | 1 |
| Completeness [%] | 93.3 | |
| Redundancy | 2.2 | 1.9 |
| CC(1/2) | 0.993 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | containing 200 mM MgCl2, 100 mM Tris-HCl pH 8.5 and 30% (w/v) PEG 4K |
