7R02
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-5 |
Synchrotron site | MAX II |
Beamline | I911-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-08 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.03763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.852, 111.105, 227.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.710 - 2.300 |
R-factor | 0.1695 |
Rwork | 0.169 |
R-free | 0.18550 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j06 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.600 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.058 | 0.416 |
Number of reflections | 89430 | 12913 |
<I/σ(I)> | 21.6 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 28-30% (w/v) PEG750MME 0.1 M HEPES pH 6.9-7.1 |