3LEK
Lectin Domain of Lectinolysin complexed with Lewis B Antigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.010, 67.010, 97.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.000 - 2.000 |
| R-factor | 0.20414 |
| Rwork | 0.202 |
| R-free | 0.23709 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3leo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.480 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.000 | 67.010 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.116 | 0.051 | 0.414 |
| Number of reflections | 15696 | ||
| <I/σ(I)> | 10.6 | 22.8 | 4.1 |
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 11.38 | 10.32 | 11.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 2M MgSO4, 100mM Tris, pH 8.5, vapor diffusion, hanging drop, temperature 294K |
