3OBL
Crystal structure of the potent anti-HIV cyanobacterial lectin from Oscillatoria Agardhii
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 2010-02-25 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9795, 0.9793, 0.9718 |
Spacegroup name | P 1 |
Unit cell lengths | 42.752, 47.275, 47.367 |
Unit cell angles | 78.16, 62.99, 63.14 |
Refinement procedure
Resolution | 22.640 - 1.200 |
Rwork | 0.140 |
R-free | 0.16923 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.356 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.640 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.079 | 0.434 |
Number of reflections | 86175 | |
<I/σ(I)> | 7.5 | 2.1 |
Completeness [%] | 92.0 | 83.1 |
Redundancy | 3.81 | 3.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 1.2 M NaH2PO4/0.8 M K2HPO4, 0.2 M Li2SO4, 0.1 M CAPS (pH 10.5), VAPOR DIFFUSION, SITTING DROP, temperature 298K |