9UES

Crystal structure of an inactive TKSP mutant in complex with the TKS propeptide

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	2019-10-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 61
Unit cell lengths	136.141, 136.141, 97.985
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.240 - 3.200
R-factor	0.2092
Rwork	0.207
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.186
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	17480	1297
<I/σ(I)>	19.37
Completeness [%]	99.5
Redundancy	10.14
CC(1/2)	0.999	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES-NaOH, pH 7.5, 1.5 M sodium acetate, 0.05 M cadmium sulfate