5EHQ
mAChE-anti TZ2PA5 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.953 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.820, 113.160, 225.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.160 - 2.500 |
| R-factor | 0.1911 |
| Rwork | 0.191 |
| R-free | 0.21540 |
| 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] | 46.160 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.600 | |
| Number of reflections | 71018 | |
| <I/σ(I)> | 17.8 | 3 |
| Completeness [%] | 99.3 | 96.3 |
| Redundancy | 4.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25-35% PEG550 MME or PEG600, 60-100 mM sodium acetate |
