7QY8

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	80.059, 80.059, 349.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.901 - 2.060
Rwork	0.245
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bbw
RMSD bond length	0.004
RMSD bond angle	1.306
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]	72.901	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.158	2.964
Number of reflections	71921	3491
<I/σ(I)>	14.8	1.4
Completeness [%]	100.0
Redundancy	25.6
CC(1/2)	0.999	0.797

Crystallization Conditions

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