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 |