6OBE
Ricin A chain bound to VHH antibody V6H8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 90.371, 90.371, 204.015 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.116 - 1.732 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.264 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.730 | 4.690 | 1.730 |
Rmerge | 0.169 | 0.050 | 2.538 |
Rmeas | 0.173 | 0.051 | 2.639 |
Rpim | 0.038 | 0.012 | 0.718 |
Total number of observations | 1053545 | ||
Number of reflections | 52131 | 2929 | 2537 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 20.2 | 19.2 | 13.1 |
CC(1/2) | 0.999 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 100 mM citric acid and 15% PEG |