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