4Z2F

Sclerotium Rolfsii lectin variant (SSR2) with fine carbohydrate specificity

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	100.184, 100.184, 63.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.560 - 2.500
R-factor	0.1784
Rwork	0.175
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ofd
RMSD bond length	0.002
RMSD bond angle	0.552
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.560	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	43553
<I/σ(I)>	16.3	2.2
Completeness [%]	100.0	100
Redundancy	5.6	3.6

Crystallization Conditions

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