6S97
Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.556, 87.556, 102.125 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.778 - 1.953 |
R-factor | 0.2931 |
Rwork | 0.291 |
R-free | 0.33000 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.780 | 43.780 | 2.000 |
High resolution limit [Å] | 1.950 | 8.950 | 1.950 |
Rmerge | 0.145 | 0.035 | 1.440 |
Rmeas | 0.149 | 0.036 | 1.476 |
Rpim | 0.033 | 0.008 | 0.325 |
Total number of observations | 6992 | 45997 | |
Number of reflections | 33369 | 404 | 2313 |
<I/σ(I)> | 18.9 | 71.8 | 2.8 |
Completeness [%] | 99.9 | 99.4 | 99.1 |
Redundancy | 20 | 17.3 | 19.9 |
CC(1/2) | 0.999 | 1.000 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | PEG 3350, sodium acetate, Tris |