7KC9
Ricin bound to VHH antibody V5G1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-01-12 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 44.345, 77.438, 101.577 |
Unit cell angles | 89.97, 90.18, 89.98 |
Refinement procedure
Resolution | 19.653 - 2.301 |
R-factor | 0.1894 |
Rwork | 0.187 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aai |
RMSD bond length | 0.005 |
RMSD bond angle | 0.864 |
Data reduction software | CrystalClear |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.068 | 0.027 | 0.311 |
Rmeas | 0.096 | 0.039 | 0.440 |
Rpim | 0.068 | 0.027 | 0.311 |
Total number of observations | 112499 | ||
Number of reflections | 57480 | 2851 | 2788 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 96.0 | 95.4 | 92.6 |
Redundancy | 2 | 1.9 | 1.9 |
CC(1/2) | 0.997 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 200 mM zinc acetate, 20% PEG 3,350 |