8IQE

Crystal structure of tetrameric K2-2 TSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	232.876, 232.876, 102.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.560 - 2.170
R-factor	0.1698
Rwork	0.168
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model derived from MAD experiment
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.073	0.825
Rmeas	0.082	0.925
Rpim	0.036	0.417
Number of reflections	166451	16573
<I/σ(I)>	20.6	2
Completeness [%]	100.0	100
Redundancy	5	4.9
CC(1/2)		0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.1 M Bicine pH 9.0, 10% PEG-4000, 10% polyacrylic acid 2100 sodium salt