8IQ5

Crystal structure of trimeric K2-2 TSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-07-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	102.815, 82.838, 196.140
Unit cell angles	90.00, 98.37, 90.00

Refinement procedure

Resolution	25.420 - 1.380
R-factor	0.1341
Rwork	0.134
R-free	0.15780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8iqe
RMSD bond length	0.012
RMSD bond angle	1.244
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	1.430
High resolution limit [Å]	1.380	1.380
Rmerge	0.078	0.560
Rmeas	0.089	0.693
Rpim	0.044	0.402
Number of reflections	651990	63676
<I/σ(I)>	24.1
Completeness [%]	98.1
Redundancy	4
CC(1/2)		0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.1 M Bicine pH 9.0, 22% PEG-6000