9JQI

Crystal structure of calmodulin in complex with KN93 (1:1 complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	C 1 2 1
Unit cell lengths	69.336, 40.264, 173.413
Unit cell angles	90.00, 92.47, 90.00

Refinement procedure

Resolution	57.750 - 2.100
R-factor	0.2512
Rwork	0.248
R-free	0.28820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m7h
RMSD bond length	0.002
RMSD bond angle	0.504
Data reduction software	autoPX
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.750	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.158	0.689
Number of reflections	28412	4103
<I/σ(I)>	7.6	2.8
Completeness [%]	99.9	100
Redundancy	6.2	6.5
CC(1/2)	0.985	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	sodium acetate, sodium cacodylate, PEG 8000