3ZLT
Crystal structure of acetylcholinesterase in complex with RVX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-03 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.009, 113.169, 226.346 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.220 - 2.600 |
R-factor | 0.1712 |
Rwork | 0.170 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.169 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.220 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 63495 | |
<I/σ(I)> | 13.2 | 3.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |