4AFH
Capitella teleta AChBP in complex with lobeline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.637, 110.975, 134.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.352 - 1.880 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uz6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.161 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.350 | 1.980 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.068 | 0.528 |
Number of reflections | 93581 | |
<I/σ(I)> | 10.1 | 1.4 |
Completeness [%] | 97.4 | 82.4 |
Redundancy | 4.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 0.2 M imidazole-malate at pH 5.5, 33% (vol/vol) PEG 600, and (vol/vol) 3% glycerol |