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