6URY
Crystal structure of ricin A chain in complex with inhibitor 9-oxo-4-fluorenecarboxamide
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 | 2018-06-19 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.228, 66.228, 264.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.140 - 1.540 |
| R-factor | 0.1659 |
| Rwork | 0.164 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rtc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.479 |
| 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] | 66.140 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.120 | 1.200 |
| Rpim | 0.030 | 0.360 |
| Number of reflections | 88500 | 4211 |
| <I/σ(I)> | 18.2 | 2 |
| Completeness [%] | 100.0 | 99.4 |
| Redundancy | 25.3 | 11 |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 100 mM Tris pH 7.0, 200 mM Magnesium Chloride, 2.5 M Sodium Chloride |
