2WIF
AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1
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 | 2008-01-27 |
Detector | ADSC CCD |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 154.390, 154.390, 126.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.250 |
R-factor | 0.20988 |
Rwork | 0.207 |
R-free | 0.27508 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p0i |
RMSD bond length | 0.025 |
RMSD bond angle | 2.238 |
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] | 47.700 | 2.300 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.100 | 0.480 |
Number of reflections | 35245 | |
<I/σ(I)> | 15.3 | 4 |
Completeness [%] | 96.3 | 96.3 |
Redundancy | 7.1 | 7.3 |
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 |