3N1G

Crystal structure of DhhN 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 2
Unit cell lengths	87.210, 92.985, 74.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.648 - 1.900
R-factor	0.1842
Rwork	0.182
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.140
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]	25.000
High resolution limit [Å]	1.900
Number of reflections	47802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	30% PEG 4000, 200 mM MgCl2, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, temperature 298K