6EYF
Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue
Replaces: 6EULExperimental 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) | 0.98 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 154.183, 154.183, 127.752 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.546 - 2.600 |
R-factor | 0.1836 |
Rwork | 0.181 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aqd |
RMSD bond length | 0.031 |
RMSD bond angle | 1.655 |
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] | 38.550 | 2.718 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.028 | 0.281 |
Rmeas | 0.040 | 0.397 |
Rpim | 0.028 | 0.281 |
Number of reflections | 23889 | 2827 |
<I/σ(I)> | 19.16 | 2.47 |
Completeness [%] | 99.7 | 99.96 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM Tris pH 8.5, 2.15 M ammonium sulfate. |