3KM3

Crystal structure of eoxycytidine triphosphate deaminase from anaplasma phagocytophilum at 2.1A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	RIGAKU SATURN 944
Spacegroup name	H 3
Unit cell lengths	84.660, 84.660, 140.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.184
Rwork	0.182
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.525
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.447
Number of reflections	21725
<I/σ(I)>	23.99	5.1
Completeness [%]	98.9	96.6
Redundancy	11	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.1	290	MD PACT SCREEN CONDITION D9: 100MM TRIS PH 8.1, 200MM LICL, 20% PEG 3350; ANPHA.00973.A AT XXMG/ ML, CRYSTAL SOAKED IN 100MM HEPES PH 7.0, 200MM NACL, 20% PEG 3350, 1M KI, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K