3N1P

Crystal Structure of IhhN bound to BOCFn3

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	P 21 21 21
Unit cell lengths	38.913, 63.228, 106.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.278 - 2.700
R-factor	0.2368
Rwork	0.235
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.617
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.700
Number of reflections	7209

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	15% PEG 3350, 100mM Ca(OAc), VAPOR DIFFUSION, temperature 298K