6NUU

Structure of Calcineurin mutant in complex with NHE1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-18
Detector	Bruker PHOTON II
Wavelength(s)	1.34
Spacegroup name	C 2 2 21
Unit cell lengths	79.303, 125.966, 127.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.800 - 2.300
R-factor	0.198
Rwork	0.195
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5sve
RMSD bond length	0.006
RMSD bond angle	0.690
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.800	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	28153	14368
<I/σ(I)>	5.9
Completeness [%]	99.8
Redundancy	5.3
CC(1/2)	0.984	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	298	40% (v/v) PEG 600, 100 mM CHES/ Sodium hydroxide pH 9.5, 0.2 M MgCl2