1KXR

Crystal Structure of Calcium-Bound Protease Core of Calpain I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	149.443, 40.492, 132.328
Unit cell angles	90.00, 105.96, 90.00

Refinement procedure

Resolution	30.000 - 2.070
R-factor	0.218 *
Rwork	0.213
R-free	0.25700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1df0
RMSD bond length	0.006
RMSD bond angle	1.232 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.091	0.140 *
Total number of observations	119331 *
Number of reflections	43051
<I/σ(I)>	11.3	2.8
Completeness [%]	92.0	94.6
Redundancy	8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	sodium chloride, calcium chloride, MES, PEG 6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.5 (M)
2	1	reservoir	PEG6000	2 (%)
3	1	reservoir	MES	0.1 (M)	pH6.0
4	1	reservoir	glycerol	15 (%)
5	1	reservoir		10 (mM)
6	1	drop	protein	12.5 (mg/ml)