7QXO

The structure of T. forsythia NanH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97795
Spacegroup name	P 41 21 2
Unit cell lengths	79.868, 79.868, 349.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.640 - 1.900
Rwork	0.252
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bbw
RMSD bond length	0.005
RMSD bond angle	1.411
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.640	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.141	2.525
Number of reflections	90670	4317
<I/σ(I)>	14.4	1.3
Completeness [%]	100.0	98.29
Redundancy	25.3
CC(1/2)	0.964	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	300	7% PEG6000 0.1M HEPES