5LXB
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with palonosetron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2004-12-12 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.215, 137.051, 131.249 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 130.960 - 2.340 |
R-factor | 0.2192 |
Rwork | 0.218 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yme |
RMSD bond length | 0.017 |
RMSD bond angle | 1.819 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0157) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 130.960 | 2.470 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.845 | |
Number of reflections | 106052 | |
<I/σ(I)> | 8.9 | 1.6 |
Completeness [%] | 99.2 | 94.5 |
Redundancy | 4.5 | 4.4 |
CC(1/2) | 0.598 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM sodium 265 citrate, 100 mM bis tris propane pH 8.5, and 20% (w/v) PEG3350. |