2P6B

Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	86.104, 89.155, 157.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.192
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aui
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.104	0.529
Number of reflections	60710
<I/σ(I)>	8.2
Completeness [%]	96.2	73.9
Redundancy	4.7	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	12% PEG 4000, 0.1M calcium chloride, 0.1M TES, 0.001M DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K