5C1V

CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-02
Detector	PSI PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 62 2 2
Unit cell lengths	185.008, 185.008, 106.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.800 - 3.350
R-factor	0.217
Rwork	0.216
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aui
RMSD bond length	0.017
RMSD bond angle	2.122
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	3.530
High resolution limit [Å]	3.350	3.350
Rmerge	0.184	0.884
Number of reflections	15994
<I/σ(I)>	13
Completeness [%]	100.0	100
Redundancy	17.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.1 M HEPES, 25% PEG 3350, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	0.1 M HEPES, 25% PEG 3350, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K