4YJF

Crystal structure of DAAO(Y228L/R283G) variant (S-methylbenzylamine binding form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-06-18
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	68.844, 91.973, 110.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.600 - 2.200
R-factor	0.19239
Rwork	0.191
R-free	0.22623
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wgt
RMSD bond length	0.009
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.600	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.410
Number of reflections	34607
<I/σ(I)>	46.7	7.2
Completeness [%]	95.0	92.3
Redundancy	10.5	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% PEG4000, 0.1M Tris-HCl(pH 8.5), 0.2M Lithium sulfate