6EWK
T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.520, 111.520, 136.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.120 - 2.220 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.120 | 2.299 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.106 | 0.568 |
| Rmeas | 0.124 | 0.665 |
| Rpim | 0.062 | 0.337 |
| Number of reflections | 48656 | 4819 |
| <I/σ(I)> | 9.14 | 2.1 |
| Completeness [%] | 99.1 | 99.32 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.994 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 299 | Polyethylen glycol 200 36 % MES 100 mM pH 5.4 |
