2WSL
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2008-04-25 |
| Detector | ADSC CCD |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 154.860, 154.860, 126.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.870 - 2.000 |
| R-factor | 0.18536 |
| Rwork | 0.184 |
| R-free | 0.21957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.351 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | XDS |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.375 |
| Number of reflections | 51418 | |
| <I/σ(I)> | 22.8 | 4.35 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES BUFFER PH 6.5, 2.1M AMMONIUM SULFATE |
