5XAO

Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in complexes with sodium and chloride ions

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	2016-12-13
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.119, 109.065, 95.017
Unit cell angles	90.00, 98.83, 90.00

Refinement procedure

Resolution	19.640 - 1.800
R-factor	0.212
Rwork	0.209
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t1f
RMSD bond length	0.004
RMSD bond angle	0.858
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640	19.640	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.080	0.041	0.514
Rmeas	0.080
Total number of observations	290996
Number of reflections	80576
<I/σ(I)>	6.6	19.3	1.8
Completeness [%]	96.0	99.1	93.3
Redundancy	3.58	3.7	3.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	Tacsimate, PEG 3350