7QYP

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	2017-12-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97951
Spacegroup name	P 41 21 2
Unit cell lengths	79.895, 79.895, 349.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.005 - 1.659
Rwork	0.222
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bbw
RMSD bond length	0.012
RMSD bond angle	1.681
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]	79.890	1.690
High resolution limit [Å]	1.659	1.660
Rmerge	0.168	0.851
Number of reflections	135097	6572
<I/σ(I)>	6.9	0.9
Completeness [%]	100.0	99.21
Redundancy	12.1
CC(1/2)	0.992	0.435

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	7% PEG6000 0.1M HEPES