3U04

Crystal structure of peptide deformylase from ehrlichia chaffeensis in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-23
Detector	RIGAKU SATURN 944+
Spacegroup name	C 1 2 1
Unit cell lengths	83.890, 33.020, 68.140
Unit cell angles	90.00, 91.17, 90.00

Refinement procedure

Resolution	41.936 - 1.700
R-factor	0.172
Rwork	0.170
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oca native EhchA.01519.a
RMSD bond length	0.013
RMSD bond angle	1.555
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.936	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.031	0.188
Number of reflections	20709
<I/σ(I)>		5.19
Completeness [%]	97.8	80.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	290	EBS SCREEN JCSG+ A9: 15-20% PEG 3350, 200MM AMMONIUM CHLORIDE; EHCHA.01519.A.A1.PW27438 AT 14MG/ML, CRYO PROTECTED WITH AL'S OIL, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K