8KH3
Crystal Structure of Kemp Eliminase HG3.17 in complexed with 5-cyanobenzotriazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.968, 57.553, 91.516 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.720 - 2.000 |
R-factor | 0.1495 |
Rwork | 0.145 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.841 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.720 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.129 | 0.445 |
Number of reflections | 18690 | 1343 |
<I/σ(I)> | 12.2 | 5.6 |
Completeness [%] | 99.3 | |
Redundancy | 6.4 | |
CC(1/2) | 0.994 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 1.1M ammonium sulfate, 100mM sodium acetate, pH 5.9 |