3K31

Crystal structure of eonyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum in complex with nad at 1.9a resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-18
Detector	RAYONIX MX-225
Wavelength(s)	0.97351
Spacegroup name	P 21 21 2
Unit cell lengths	80.780, 89.730, 79.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 1.800
R-factor	0.15
Rwork	0.148
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure pdb entry 3k2e
RMSD bond length	0.016
RMSD bond angle	1.523
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.068	0.491
Number of reflections	53869
<I/σ(I)>	20.74	5.6
Completeness [%]	99.8	99.9
Redundancy	7.2	3924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	JCSG+ SCREEN CONDITION E11: 100MM IMIDAZOLE PH 80, 10% PEG 8000; ANPHA.00817.A AT 23MG/ML WITH 1MM NAD, PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K