6J87

Crystal structure of HinD with NMFT and NO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.212, 155.029, 56.556
Unit cell angles	90.00, 115.54, 90.00

Refinement procedure

Resolution	48.472 - 2.300
R-factor	0.1965
Rwork	0.178
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j82
RMSD bond length	0.008
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.472	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.106	0.549
Number of reflections	33169	3239
<I/σ(I)>	7.1	1.8
Completeness [%]	98.0	98
Redundancy	2.9	3
CC(1/2)	0.987	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES (pH 6.5) containing 1200 mM (NH4)2HPO4 and 100 mM NaCl