7F1J
Designed enzyme RA61 M48K/I72D mutant: form III
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 | 2018-03-17 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.032, 63.347, 39.772 |
Unit cell angles | 90.00, 109.84, 90.00 |
Refinement procedure
Resolution | 37.410 - 1.600 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b5l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.036 |
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 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 22093 | 3543 |
<I/σ(I)> | 6.1 | 1.6 |
Completeness [%] | 99.3 | |
Redundancy | 3.3 | |
CC(1/2) | 0.990 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M tris hydrochloride, pH 8.5, 2.0 M ammonium phosphate monobasic, 2 mM acetylacetone |