8OFD
Crystal structure of beta-conglutin from Lupinus albus refined to 2.81 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU PhotonJet-S |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-14 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 166.630, 166.630, 40.098 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.767 - 2.810 |
Rwork | 0.204 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.317 |
Data reduction software | CrysalisPro (1.171.41.100) |
Data scaling software | Aimless (0.7.9) |
Phasing software | MOLREP (11.9.02) |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.770 | 2.960 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.170 | 1.001 |
Rmeas | 0.182 | 1.067 |
Rpim | 0.064 | 0.366 |
Number of reflections | 15700 | 2263 |
<I/σ(I)> | 9.1 | 2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7.8 | 8.4 |
CC(1/2) | 0.993 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 281 | 40% (v/v) Tacsimate pH 7.0, 50 mM HEPES pH 7.0, 2 mM Spermine, and 2 mM Hexaamine cobalt (III) |