5EIH
mAChE-TZ2/PA5 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.500, 112.978, 226.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 2.700 |
R-factor | 0.1751 |
Rwork | 0.175 |
R-free | 0.20160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.635 | |
Number of reflections | 56558 | |
<I/σ(I)> | 12.1 | 3.2 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 6 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25-35% PEG MME 550 or PEG 600, 60-100 mM Hepes or sodium acetate |