6URX
Crystal structure of ricin A chain in complex with inhibitor 5-phenyl-2-thiophenecarboxylic 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 | 2018-03-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 168.355, 168.355, 54.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 145.800 - 1.990 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rtc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.428 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.800 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.200 | 2.220 |
| Rpim | 0.040 | 0.460 |
| Number of reflections | 31903 | 2190 |
| <I/σ(I)> | 17.6 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 24.3 | |
| CC(1/2) | 0.990 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 200 mM Ammonium Iodide, 20% (w/v) PEG 3350 |
