5LKR
Human Butyrylcholinesterase complexed with N-Propargyliperidines
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-18 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.681, 79.463, 228.869 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.857 - 2.520 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.917 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 48.860 |
High resolution limit [Å] | 2.520 |
Rmerge | 0.064 |
Number of reflections | 45918 |
<I/σ(I)> | 10 |
Completeness [%] | 99.7 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 0.2M ammonium acetate, 18% PEG 4000, 20 mM Tris pH 7.4 |