4XHE
Crystal Structure of A-AChBP in complex with pinnatoxin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 129.734, 144.231, 147.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.020 - 1.900 |
R-factor | 0.1747 |
Rwork | 0.173 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2byn |
RMSD bond length | 0.011 |
RMSD bond angle | 1.463 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.478 | |
Number of reflections | 211460 | |
<I/σ(I)> | 12.2 | 2.7 |
Completeness [%] | 98.0 | 96.7 |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 18% (w/v) P400, 0.1M Hepes pH 7.5, 0.2M CaCl2, 5% glycerol |