4DDD

Crystal structure of an immunogenic protein from ehrlichia chaffeensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-12
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	62.710, 65.440, 90.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.490 - 1.900
R-factor	0.161
Rwork	0.159
R-free	0.18800
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.061	0.309
Number of reflections	29858
<I/σ(I)>	21.2	3.6
Completeness [%]	99.0	91.3
Redundancy	5.94	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	EBS SCREEN JCSG+ H6: 100MM BISTRIS PH 6.5, 17% PEG 10K, 100MM AMMONIUM ACETATE, EHCHA.00493.A.A2 PS01157 AT 18MG/ML; CRYSTAL FOR PHASING WAS SOAKED IN CRYSTALLIZATION BUFFER CONTAINING 1M IODIDE, PH 8.5., VAPOR DIFFUSION, SITTING DROP, temperature 290K
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	EBS SCREEN JCSG+ H6: 100MM BISTRIS PH 6.5, 17% PEG 10K, 100MM AMMONIUM ACETATE, EHCHA.00493.A.A2 PS01157 AT 18MG/ML; CRYSTAL FOR PHASING WAS SOAKED IN CRYSTALLIZATION BUFFER CONTAINING 1M IODIDE, PH 8.5., VAPOR DIFFUSION, SITTING DROP, temperature 290K