7F1H
Designed enzyme RA61 M48K/I72D mutant: form I
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 | 2018-12-12 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.644, 64.236, 42.682 |
| Unit cell angles | 90.00, 111.07, 90.00 |
Refinement procedure
| Resolution | 39.830 - 1.140 |
| R-factor | 0.1256 |
| Rwork | 0.124 |
| R-free | 0.14690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b5l |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.940 |
| 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 | 1.200 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Number of reflections | 60111 | 5336 |
| <I/σ(I)> | 14.4 | 3.3 |
| Completeness [%] | 90.8 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M HEPES, pH 7.5, 2.0 M ammonium formate, 8.6 mM ethyl 6,6,6-trifluoro-5-hydroxy-3-oxo-5-phenyl-hexanoate |
