6NSX

Yeast Hsh155 Ligand bound to Human Tat-SF1 Motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	58.581, 58.581, 97.572
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.165 - 2.000
R-factor	0.1785
Rwork	0.177
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n3e
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.165	35.160	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.096	0.079	1.023
Rmeas	0.102	0.085	1.086
Rpim	0.034	0.030	0.359
Number of reflections	13598	191	959
<I/σ(I)>	12.1
Completeness [%]	99.9	98.8	98.7
Redundancy	8.7	7.7	8.9
CC(1/2)	0.995	0.996	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	0.1 M HEPES, 10% PEG 6000