8AIW

Structure of the K5/CagI complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	32.470, 79.769, 87.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.880 - 2.000
R-factor	0.1798
Rwork	0.178
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fp8
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.880	43.880	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.175	0.055	1.510
Rmeas	0.186	0.059	1.601
Rpim	0.061	0.020	0.524
Total number of observations	139163	1623	9895
Number of reflections	15888	229	1115
<I/σ(I)>	10.5	24.7	2
Completeness [%]	98.9	99.2	94.6
Redundancy	8.8	7.1	8.9
CC(1/2)	0.983	0.998	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	292	0.2 M Sodium nitrate 20 % w/v PEG 3350