5D9Z

Structure of Colocasia Esculenta Agglutinin with mannose bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	111
Detector technology	IMAGE PLATE
Collection date	2014-12-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5419
Spacegroup name	P 31 2 1
Unit cell lengths	75.896, 75.896, 124.065
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.803 - 1.850
R-factor	0.3166
Rwork	0.316
R-free	0.36930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r0e
RMSD bond length	0.011
RMSD bond angle	1.536
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.040	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.313	0.664
Number of reflections	39501
<I/σ(I)>	4	1.3
Completeness [%]	85.6	24.7
Redundancy	9.13	3.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	50 molar excess of D-Mannose was added to the purified 8.10 mg/ml lectin stock solution; 2 vols of this was mixed with 1 vol of crystallizing agent containing 0.1 M sodium citrate tribasic pH 5.6 and 1.0 M ammonium phosphate monobasic; equilibrated with above crystallizing agent in reservoir; large crystals in 3 weeks