4OWL
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Lactosamine Bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 326.905, 79.843, 55.607 |
Unit cell angles | 90.00, 95.71, 90.00 |
Refinement procedure
Resolution | 40.162 - 2.100 |
R-factor | 0.1634 |
Rwork | 0.162 |
R-free | 0.18760 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.282 |
Data reduction software | HKL-2000 (704x) |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.113 | 0.057 | 0.693 |
Total number of observations | 375224 | ||
Number of reflections | 83123 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.8 | 99.2 | 99.9 |
Redundancy | 4.5 | 4.2 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 298 | 100 mM TRIS, pH 8.25, 6% PEG 8000, 2 mM N-acetyl-D-lactosamine: cryoprotected in 20% glycerol |