4Z2F
Sclerotium Rolfsii lectin variant (SSR2) with fine carbohydrate specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-25 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 100.184, 100.184, 63.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.560 - 2.500 |
| R-factor | 0.1784 |
| Rwork | 0.175 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ofd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.552 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.560 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 43553 | |
| <I/σ(I)> | 16.3 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289 | 20% v/v MPD |
