4OWJ
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin
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 | P 21 21 21 |
| Unit cell lengths | 75.833, 118.214, 149.302 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.070 - 2.000 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.178 |
| 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] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.175 | 0.106 | 0.690 |
| Total number of observations | 756224 | ||
| Number of reflections | 91312 | ||
| <I/σ(I)> | 4.8 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.3 | 7.2 | 8.1 |
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; Cryoprotected in 20% glycerol |
