3DF0

Calcium-dependent complex between m-calpain and calpastatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98064
Spacegroup name	P 42
Unit cell lengths	147.390, 147.390, 47.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 2.950
R-factor	0.232
Rwork	0.229
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mdw 1DF0 domain III and DIV and 1DVI
RMSD bond length	0.012
RMSD bond angle	1.485
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	3.060
High resolution limit [Å]	2.950	2.950
Rmerge	0.096	0.820
Number of reflections	20755
<I/σ(I)>	21.4	2.1
Redundancy	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4-9% PEG 3350, 5-10 mM CaCl2, 50-100 mM NaOAc (pH 5.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4-9% PEG 3350, 5-10 mM CaCl2, 50-100 mM NaOAc (pH 5.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4-9% PEG 3350, 5-10 mM CaCl2, 50-100 mM NaOAc (pH 5.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4-9% PEG 3350, 5-10 mM CaCl2, 50-100 mM NaOAc (pH 5.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	4-9% PEG 3350, 5-10 mM CaCl2, 50-100 mM NaOAc (pH 5.5) , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K