6MPS

TagT bound to LIIa-WTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	66.373, 66.373, 145.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.355 - 1.860
R-factor	0.2165
Rwork	0.216
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mej
RMSD bond length	0.003
RMSD bond angle	0.551
Data reduction software	XDS (May 1, 2016)
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.390	60.390	1.900
High resolution limit [Å]	1.860	9.090	1.860
Rmerge	0.057	0.019	1.882
Rmeas	0.065	0.023	2.150
Rpim	0.031	0.012	1.023
Total number of observations	118106
Number of reflections	27947	280	1591
<I/σ(I)>	13.1
Completeness [%]	99.2	94.2	94.4
Redundancy	4.2	3.6	4.2
CC(1/2)	0.999	0.999	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM HEPES pH 7.0-7.5, 20-22% w/v PEG 3350, and 200 mM MgCl2