9LD4

The Apo-form structure of TkoKptA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	121.780, 234.650, 74.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.760 - 3.610
R-factor	0.2329
Rwork	0.232
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.555
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.760	3.700
High resolution limit [Å]	3.610	3.610
Rmerge	0.356	1.368
Rmeas	0.371	1.422
Rpim	0.101	0.386
Total number of observations	165979	12384
Number of reflections	12679	927
<I/σ(I)>	8.6	2.3
Completeness [%]	99.9
Redundancy	13.1	13.4
CC(1/2)	0.991	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	300	10% w/v PEG 6000 100 mM Hepes pH 7.0