4Q2V
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.197, 68.197, 133.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.066 - 2.198 |
| R-factor | 0.2123 |
| Rwork | 0.211 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rtj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.052 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.198 | 2.200 |
| Rmerge | 0.075 | 0.476 |
| Number of reflections | 16723 | |
| <I/σ(I)> | 34.4 | 5.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.3 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2M ammonium sulphate, 0.1M sodium acetate, 10% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
