4GWI
His 62 mutant of the lectin binding domain of lectinolysin complexed with Lewis y
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.99 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.097, 67.097, 99.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.950 - 1.600 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.19017 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.539 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.106 | 0.115 | 0.458 |
Number of reflections | 30563 | ||
<I/σ(I)> | 17.4 | ||
Completeness [%] | 99.2 | 93.7 | 99.7 |
Redundancy | 14 | 12 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 294 | 2.4M MgSO4, 0.1M KCl, 0.1M Tris, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 294K |