3K5T

Crystal structure of human diamine oxidase in space group C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-01-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	94.771, 96.954, 178.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.090 - 2.110
R-factor	0.239
Rwork	0.236
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c10
RMSD bond length	0.009
RMSD bond angle	1.224
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	178.060	89.100	2.210
High resolution limit [Å]	2.106	6.640	2.100
Rmerge	0.111	0.104	0.299
Total number of observations		31372	19558
Number of reflections	45200
<I/σ(I)>	15.7	5.5	2.5
Completeness [%]	95.2	100	96.2
Redundancy	7.4	19	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	298	0.1 M MES (pH 6.1), 12% w/v PEG 20,000, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.1	298	0.1 M MES (pH 6.1), 12% w/v PEG 20,000, vapor diffusion, hanging drop, temperature 298K