7OXH

ttSlyD with pseudo-wild-type S2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	P 31 2 1
Unit cell lengths	49.225, 49.225, 131.214
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.630 - 1.700
R-factor	0.2044
Rwork	0.203
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cgm
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.630	1.762
High resolution limit [Å]	1.700	1.700
Rmerge	0.036	0.697
Rmeas	0.038	0.723
Rpim	0.010	0.189
Number of reflections	20988	2046
<I/σ(I)>	37.59	4.02
Completeness [%]	99.8	99.22
Redundancy	14.3	14.1
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	6.5	292.15	Sodium cacodylate, PEG 200