4BDS
Human butyrylcholinesterase in complex with tacrine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-11 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 155.660, 155.660, 127.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.904 - 2.100 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p0i |
RMSD bond length | 0.009 |
RMSD bond angle | 1.135 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.900 | 2.400 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 45776 | |
<I/σ(I)> | 18.4 | 4.8 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | 0.1 M MES PH 6.5, 2.1 M AMMONIUM SULFATE, 293 K |