4G9N
Crystal structure of the Rhizoctonia solani agglutinin in complex with N'-acetyl-galactosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-18 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.583, 61.251, 32.839 |
Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
Resolution | 13.859 - 2.200 |
R-factor | 0.1543 |
Rwork | 0.150 |
R-free | 0.23160 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4g9m |
RMSD bond length | 0.007 |
RMSD bond angle | 1.137 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.860 | 2.370 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 13153 | |
<I/σ(I)> | 11.5 | 5.8 |
Completeness [%] | 99.5 | 99.3 |
Redundancy | 4.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | Reservoir: 0.1 M sodium acetate, pH 4.2, 20% v/v PEG8000, 0.2 M sodium chloride, 10 mM sodium citrate, a single native crystal was soaked in a solution of 12.9 mM N'-acetyl-galactosamine (GalNAc) in reservoir solution for 48 hours, VAPOR DIFFUSION, SITTING DROP, temperature 289K |