6MPT

TagT bound to LI-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	66.231, 66.231, 140.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.872 - 1.649
R-factor	0.2009
Rwork	0.200
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4de9
RMSD bond length	0.003
RMSD bond angle	0.526
Data reduction software	XDS (May 1, 2016)
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.7.15)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.872	59.870	1.680
High resolution limit [Å]	1.649	9.030	1.650
Rmerge	0.046	0.025	1.429
Rmeas	0.051	0.028	1.655
Rpim	0.022	0.013	0.814
Number of reflections	38209	286	1787
<I/σ(I)>	16.2
Completeness [%]	99.6	97.8	97.7
Redundancy	4.9	4.5	3.7
CC(1/2)	0.999	0.998	0.355

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