9AUQ

Crystal structure of 4-Fluoro-tryptophan labeled Oscillatoria Agardhii agglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	93.15
Detector technology	IMAGE PLATE
Collection date	2020-02-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	42.480, 47.303, 47.282
Unit cell angles	78.44, 63.36, 63.37

Refinement procedure

Resolution	29.900 - 2.370
R-factor	0.1725
Rwork	0.165
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.290	2.450
High resolution limit [Å]	2.370	2.370
Rmerge	0.014	0.025
Rmeas	0.020	0.035
Number of reflections	11304	1106
<I/σ(I)>	28.1
Completeness [%]	95.0
Redundancy	1.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	1.2 M NaH2PO4/0.8 M K2HPO4, 0.2 M Li2SO4, 0.1 M CAPS (pH 10.5)