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 |