7XZU
Crystal structure of Ricin A chain bound with (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2020-02-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.402, 67.402, 140.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.680 - 1.600 |
R-factor | 0.2063 |
Rwork | 0.206 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4huo |
RMSD bond length | 0.007 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.792 | 46.922 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.015 | 1.131 | |
Rmeas | 0.044 | 0.016 | 1.175 |
Rpim | 0.012 | 0.005 | 0.319 |
Total number of observations | 562488 | 17810 | 82816 |
Number of reflections | 43745 | 1588 | 6255 |
<I/σ(I)> | 34 | 117.9 | 2.8 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 12.9 | 11.2 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 296 | PEG 2000, Lithium sulfate, Sodium acetate |