6EZ2
Human butyrylcholinesterase carbamylated.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.010, 79.940, 231.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.970 - 2.700 |
R-factor | 0.1867 |
Rwork | 0.186 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aqd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.159 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.970 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.025 | 0.240 |
Rmeas | 0.036 | 0.340 |
Rpim | 0.025 | 0.240 |
Number of reflections | 39535 | 3744 |
<I/σ(I)> | 15.27 | 2.69 |
Completeness [%] | 99.3 | 96.42 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 100 mM ammonium acetate, pH 7.40, 13% polyethylene glycol 3350 |