7OXK

ttSlyD with W4K pseudo-wild-type S2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 64 2 2
Unit cell lengths	109.365, 109.365, 93.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.360 - 2.800
R-factor	0.2185
Rwork	0.217
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4odl
RMSD bond length	0.006
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.360	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.099
Rmeas	0.058	3.416
Rpim	0.014	0.773
Number of reflections	8584	822
<I/σ(I)>	19.68	0.95
Completeness [%]	99.9	99.6
Redundancy	18.4	19.1
CC(1/2)	0.998	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9	292.15	1-4dioxane, bicine, PEG 20000