4Z2S
The crystal structure of Sclerotium Rolfsii lectin variant 2 (SSR2) in complex with N-acetyl-glucosamine
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) | 1.54 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 100.025, 100.025, 63.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.950 - 1.700 |
| R-factor | 0.16682 |
| Rwork | 0.165 |
| R-free | 0.20329 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ofe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.486 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.950 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 36058 | |
| <I/σ(I)> | 13.1 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 20% v/v MPD |
