2Z49
Crystal Structure of Hemolytic Lectin CEL-III Complexed with methyl-alpha-D-galactopylanoside
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 21 1 |
| Unit cell lengths | 53.287, 65.451, 126.993 |
| Unit cell angles | 90.00, 97.07, 90.00 |
Refinement procedure
| Resolution | 58.120 - 1.950 |
| R-factor | 0.19311 |
| Rwork | 0.191 |
| R-free | 0.23926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vcl |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.317 |
| 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] | 125.990 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.077 | 0.255 |
| Number of reflections | 63509 | |
| <I/σ(I)> | 14.1 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10mM METHYL-ALPHA-D-GALACTOPYLANOSIDE, 12% PEG 8000, 100mM Bis-Tris/NaOH, 200mM magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
