1QTX

THE 1.65 ANGSTROM STRUCTURE OF CALMODULIN RS20 PEPTIDE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-01-08
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	70.046, 55.344, 41.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.595 - 1.650
R-factor	0.185
Rwork	0.185
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1VRM CHAIN A AND CHAIN B
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.530	1.650
Rmerge	0.105	0.221
Number of reflections	19966
<I/σ(I)>	19.6	6.9
Completeness [%]	79.3	59.4
Redundancy	8.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	20% (W/V) PEG 8000, 100 MM SODIUM ACETATE 5 MM CALCIUM CHLORIDE 0.01% (W/V) SODIUM AZIDE PH = 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K