1QIK
SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT H) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-03-01 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.203, 112.203, 138.073 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.730 - 2.900 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vxr |
RMSD bond length | 0.008 |
RMSD bond angle | 22.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.730 | |
High resolution limit [Å] | 2.900 | |
Rmerge | 0.094 * | |
Number of reflections | 21801 | |
Completeness [%] | 95.5 | 98.6 * |
Redundancy | 1.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.8 | 4 * | 30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 12 (mg/ml) | |
2 | 1 | reservoir | PEG200 | 38 (%) | |
3 | 1 | reservoir | MES | 0.1 (M) |