3K2E

Crystal structure of enoyl-(acyl-carrier-protein) reductase from Anaplasma phagocytophilum at 1.9A 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	2009-08-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	80.000, 89.400, 78.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.154
Rwork	0.151
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3grk modified with ccp4 program chainsaw
RMSD bond length	0.019
RMSD bond angle	1.673
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	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.093	0.436
Number of reflections	44593
<I/σ(I)>	16.71	2.4
Completeness [%]	98.9	91.4
Redundancy	6.1	2.2

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, PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K