2NUD

The structure of the type III effector AvrB complexed with a high-affinity RIN4 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-08-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.884, 58.166, 119.767
Unit cell angles	90.00, 89.92, 90.00

Refinement procedure

Resolution	19.960 - 2.300
R-factor	0.21
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nh1
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.109	0.437
Number of reflections	29016
<I/σ(I)>	11	2.6
Completeness [%]	88.8	72.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	1:2-3 ratio of protein to peptide with AvrB at ~12 mg/ml mixed with an equal volume of well solution (100 mM Tris, pH 7.5, 20-30% PEG 550 MME), VAPOR DIFFUSION, SITTING DROP, temperature 291K