6J86

Crystal structure of HinD with NMFT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-30
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	49.320, 152.578, 56.336
Unit cell angles	90.00, 115.96, 90.00

Refinement procedure

Resolution	48.073 - 2.600
R-factor	0.1711
Rwork	0.163
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j82
RMSD bond length	0.008
RMSD bond angle	1.039
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]	48.073	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.124	0.549
Number of reflections	22845	2793
<I/σ(I)>	8.9	2.3
Completeness [%]	99.3	99.1
Redundancy	3.9	3.9
CC(1/2)	0.989	0.722

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