2Z48
Crystal Structure of Hemolytic Lectin CEL-III Complexed with GalNac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-10-02 |
| Detector | BRUKER DIP-6040B |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.637, 65.169, 66.675 |
| Unit cell angles | 85.30, 73.55, 89.94 |
Refinement procedure
| Resolution | 64.960 - 1.700 |
| R-factor | 0.18618 |
| Rwork | 0.185 |
| R-free | 0.21752 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vcl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.960 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.067 | 0.166 |
| Number of reflections | 89844 | |
| <I/σ(I)> | 10.6 | 3.5 |
| Completeness [%] | 96.4 | 95.2 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10mM GalNac, 12% PEG 8000, 100mM Bis-Tris/NaOH, 200mM magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
