3TRB

Structure of an addiction module antidote protein of a HigA (higA) family from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-01
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	44.669, 44.669, 221.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.777 - 2.001
R-factor	0.2011
Rwork	0.199
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cec
RMSD bond length	0.002
RMSD bond angle	0.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.035	0.031	0.209
Number of reflections	15412
<I/σ(I)>	20.6
Completeness [%]	94.8	94.3	88
Redundancy	4.5	8.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop	7.5	295	0.2M calcium chloride 20% PEG 3350, pH 7.5, sitting drop, temperature 295K