4B5D
Capitella teleta AChBP in complex with psychonicline (3-((2(S)- Azetidinyl)methoxy)-5-((1S,2R)-2-(2-hydroxyethyl)cyclopropyl)pyridine)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-26 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.359, 114.284, 135.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.428 - 2.195 |
R-factor | 0.1937 |
Rwork | 0.191 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4afh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.075 |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.430 | 2.310 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.720 |
Number of reflections | 63960 | |
<I/σ(I)> | 7.1 | 1.1 |
Completeness [%] | 97.9 | 94.9 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |