7MLN
Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-07-07 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 56.948, 124.410, 38.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.210 - 1.520 |
R-factor | 0.1898 |
Rwork | 0.189 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rtc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.348 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.210 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rpim | 0.020 | 0.410 |
Number of reflections | 43433 | 2095 |
<I/σ(I)> | 14.8 | 1.6 |
Completeness [%] | 99.8 | |
Redundancy | 7 | |
CC(1/2) | 0.990 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 24 %(w/v) PEG 1500, 20 %(w/v) Glycerol |