3ZI8
Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 72.399, 72.399, 35.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.200 - 1.500 |
R-factor | 0.1351 |
Rwork | 0.134 |
R-free | 0.16560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bt9 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.614 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.200 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.310 |
Number of reflections | 17523 | |
<I/σ(I)> | 15.9 | 4.8 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 5.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 30MM MGCL2, 30MM CACL2, 100MM MES/IMIDAZOLE PH 6.5, 12.5 % OF MPD, PEG1K AND PEG3350 |