9NXE

Crystal Structure of Calcineurin Clinical Variant E282K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 2 2 21
Unit cell lengths	79.490, 126.501, 127.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.950 - 2.090
R-factor	0.2042
Rwork	0.202
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.484
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.305	2.125
High resolution limit [Å]	2.089	2.089
Number of reflections	38378	1888
<I/σ(I)>	5.5	0.6
Completeness [%]	99.6	99.6
Redundancy	5.6	5.6
CC(1/2)	0.994	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	290	0.1 M CAPS pH 9, 0.2 M MgCl2 and 24% PEG 600