4YLD

The crystal structure of Sclerotium Rolfsii lectin variant 1 (SSR1)

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	100.285, 100.285, 63.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.840 - 1.700
R-factor	0.1483
Rwork	0.147
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.449
Data reduction software	CrysalisPro
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.840	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	36020
<I/σ(I)>	24.5	5.5
Completeness [%]	99.7	99.6
Redundancy	5.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	20% v/v MPD