5EIE
mAChE-TZ2 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 | 2006-06-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.660, 113.120, 226.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 2.100 |
R-factor | 0.1759 |
Rwork | 0.176 |
R-free | 0.19340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.597 | |
Number of reflections | 115553 | |
<I/σ(I)> | 22.7 | 3.6 |
Completeness [%] | 96.6 | 84.4 |
Redundancy | 6.6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25-30% PEG 550 MME or PEG 600, 60-100 mM Hepes or sodium acetate |