8EYL
Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.872, 41.036, 71.269 |
Unit cell angles | 90.00, 103.95, 90.00 |
Refinement procedure
Resolution | 40.640 - 1.180 |
R-factor | 0.1818 |
Rwork | 0.181 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e49 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.087 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.640 | 1.210 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.080 | |
Rmeas | 0.091 | |
Number of reflections | 71372 | 6011 |
<I/σ(I)> | 15 | |
Completeness [%] | 99.0 | |
Redundancy | 4.1 | |
CC(1/2) | 0.999 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8) |