9W4G

Complex structure of INF2 DID R91G and Calcium bound CaM

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	2023-09-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	36.990, 110.590, 112.660
Unit cell angles	90.00, 91.87, 90.00

Refinement procedure

Resolution	30.730 - 2.110
R-factor	0.1981
Rwork	0.196
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.136
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.740	30.740	2.190
High resolution limit [Å]	2.110	4.540	2.110
Rmerge	0.051
Number of reflections	51652	5259	5174
<I/σ(I)>	11.3
Completeness [%]	99.1
Redundancy	3.4
CC(1/2)	0.998	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	100 mM MES pH 6.5, 200 mM Ammonium sulfate, 30% PEG5000 MME