6NNW

Tsn15 in complex with substrate intermediate

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	2018-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976247
Spacegroup name	C 1 2 1
Unit cell lengths	129.671, 36.950, 92.030
Unit cell angles	90.00, 107.83, 90.00

Refinement procedure

Resolution	44.456 - 1.700
R-factor	0.1718
Rwork	0.170
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6noi
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.460	44.460	1.730
High resolution limit [Å]	1.700	8.980	1.700
Rmerge	0.083	0.051	0.869
Rmeas	0.090	0.056	0.952
Rpim	0.035	0.022	0.379
Number of reflections	45895	357	2008
<I/σ(I)>	13
Completeness [%]	98.9	99.2	83.1
Redundancy	6.4	6.1	5.9
CC(1/2)	0.998	0.998	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	27 % PEG 1500 and 0,1 M PCPT pH 6