7F1L
Designed enzyme RA61 M48K/I72D mutant: form V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2017-12-16 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.170, 63.600, 39.170 |
| Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
| Resolution | 37.010 - 1.700 |
| R-factor | 0.1752 |
| Rwork | 0.173 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b5l |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.184 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.840 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 17348 | 3575 |
| <I/σ(I)> | 11 | 2.3 |
| Completeness [%] | 96.1 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.996 | 0.669 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M imidazole, pH 6.5, 1.0 M sodium acetate trihydrate, 0.22 mM 4-hydroxy-4-(4-styrylphenyl)butan-2-one |
