39CB
perdeuterated M379A tyrosine phenol lyase apoenzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2024-09-05 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 137.992, 75.944, 94.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.810 - 2.000 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.20520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.456 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.2.1_6174) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.810 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 67281 | 2710 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.0 | 98.01 |
| Redundancy | 7.1 | |
| CC(1/2) | 0.981 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 12% PEG3350, 0.1 M HEPES pH 7.5, 1mM EDTA, 1mM DTT and 0.1 mM PLP |
