5SVE

Structure of Calcineurin in complex with NFATc1 LxVP peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	57.679, 106.046, 111.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.035 - 2.596
R-factor	0.1972
Rwork	0.195
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f0z
RMSD bond length	0.004
RMSD bond angle	0.597
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.040	2.710
High resolution limit [Å]	2.590	2.600
Rmerge	0.115	0.805
Number of reflections	21785
<I/σ(I)>	4.7	1.7
Completeness [%]	99.6	97.8
Redundancy	7.3	7.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES pH 7.0 15% Peg 4000