6OCD
Ricin A chain bound to VHH antibody V6D4
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 1 21 1 |
Unit cell lengths | 57.937, 78.605, 103.890 |
Unit cell angles | 90.00, 96.46, 90.00 |
Refinement procedure
Resolution | 46.445 - 2.103 |
R-factor | 0.1907 |
Rwork | 0.189 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.671 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.124 | 0.044 | 1.049 |
Rmeas | 0.145 | 0.052 | 1.248 |
Rpim | 0.076 | 0.027 | 0.669 |
Total number of observations | 193078 | ||
Number of reflections | 53563 | 2762 | 2622 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.7 | 99.7 | 97.7 |
Redundancy | 3.6 | 3.6 | 3.2 |
CC(1/2) | 0.997 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 295 | 100 mM MES (pH 6.0), 400 mM zinc acetate, and 11% PEG 8,000 |