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 |