2WID
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-27 |
| Detector | ADSC CCD |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 155.038, 155.038, 126.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 2.300 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0i |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.757 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | XDS |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.350 | 0.030 |
| Number of reflections | 34103 | |
| <I/σ(I)> | 23.1 | 5.3 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.1 M AMMONIUM SULFATE, 100 MM MES, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
