3NCX

Crystal structure of EHEC O157:H7 intimin mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	43.771, 92.488, 100.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.977 - 2.600
R-factor	0.2157
Rwork	0.213
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ncw
RMSD bond length	0.003
RMSD bond angle	0.618
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	41.980
High resolution limit [Å]	2.600
Rmerge	0.132
Number of reflections	13058

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15% PEG 20000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K