2J3Q
Torpedo acetylcholinesterase complexed with fluorophore thioflavin T
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2005-02-23 |
Detector | MULTIWIRE |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 139.440, 139.440, 71.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.813 - 2.800 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u65 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.140 | 0.610 |
Number of reflections | 242941 | |
<I/σ(I)> | 17.9 | 4.93 |
Completeness [%] | 99.1 | 92.5 |
Redundancy | 12.3 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |