3N1F

Crystal Structure of IhhN bound to CDOFn3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU SATURN 944+
Spacegroup name	C 2 2 21
Unit cell lengths	71.758, 98.198, 144.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.311 - 1.600
R-factor	0.1548
Rwork	0.153
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d1m
RMSD bond length	0.009
RMSD bond angle	1.245
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.600
Number of reflections	67040

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	20% PEG 3350, 200mM Ca(OAc), VAPOR DIFFUSION, temperature 298K