3F9I

Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase Rickettsia prowazekii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-06
Detector	RIGAKU SATURN 944
Spacegroup name	P 41 21 2
Unit cell lengths	74.160, 74.160, 183.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.610 - 2.250
R-factor	0.216
Rwork	0.213
R-free	0.27400
Structure solution method	MR
Starting model (for MR)	3emk modified by ccp4 program chainsaw
RMSD bond length	0.017
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.610	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.056	0.375
Number of reflections	24573
<I/σ(I)>	20.7	2.3
Completeness [%]	97.9	93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	290	JCSG+ SCREEN D3: 100MM NA/K PO4, 50% PEG 200, 200MM NACL, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 290K