5BN6

Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-11-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 1 2 1
Unit cell lengths	75.926, 74.606, 119.042
Unit cell angles	90.00, 96.79, 90.00

Refinement procedure

Resolution	19.650 - 1.650
R-factor	0.1658
Rwork	0.164
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wog
RMSD bond length	0.006
RMSD bond angle	1.038
Data reduction software	XDS (0.3.11)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.650	19.650	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.049	0.018	0.446
Rpim	0.039	0.014	0.395
Total number of observations	174200	1040	4489
Number of reflections	77162
<I/σ(I)>	13.7	44.7	1.9
Completeness [%]	97.3	85.2	75.6
Redundancy	2.3	2.4	1.5
CC(1/2)	0.998	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	10% PEG 20 000, v/v PEG MME 550, 0.1 M bicine/Trizma base pH 8.5