3MEN

Crystal structure of acetylpolyamine aminohydrolase from Burkholderia pseudomallei, iodide soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.700, 162.120, 173.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.182
Rwork	0.179
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.449
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.102	0.484
Number of reflections	65263
<I/σ(I)>	20.1	3.8
Completeness [%]	98.1	84
Redundancy	12.8	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	290	EBS Wizard screen B1: 1.26M ammonium sulphate, 100mM cacodylate pH 6.5; protein at 7.9mg/ml; 1h soak in 1.4M ammonium sulphate, 100mM cacodylate pH 6.5, 200mM NaI, VAPOR DIFFUSION, SITTING DROP, temperature 290K