8TFH
Ricin in complex with Fab JB4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-06-01 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 139.358, 139.358, 444.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.840 - 3.290 |
R-factor | 0.2768 |
Rwork | 0.274 |
R-free | 0.33400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.815 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.360 |
High resolution limit [Å] | 3.290 | 8.940 | 3.300 |
Rmerge | 0.100 | 1.838 | |
Rmeas | 0.105 | 1.995 | |
Rpim | 0.031 | 0.755 | |
Number of reflections | 32952 | 1834 | 1590 |
<I/σ(I)> | 1.9 | ||
Completeness [%] | 97.4 | 98 | 96.8 |
Redundancy | 7.5 | 11.2 | 6 |
CC(1/2) | 0.440 | 0.997 | 0.298 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.5 M ammonium sulfate and 25% glycerol |