1CTR

DRUG BINDING BY CALMODULIN: CRYSTAL STRUCTURE OF A CALMODULIN-TRIFLUOPERAZINE COMPLEX

Experimental procedure

Spacegroup name	P 32 2 1
Unit cell lengths	41.000, 41.000, 178.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.450
R-factor	0.222
Rwork	0.222
RMSD bond length	0.015
RMSD bond angle	2.500
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.450 *
Rmerge	0.092 *
Total number of observations	16284 *
Number of reflections	6240 *
Completeness [%]	89.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	CaM-TFP
2	1	drop	PEG-MME 2000	20 (%)
3	1	drop	sodium cacodylate	0.1 (M)
4	1	reservoir	PEG-MME 2000	20 (%)
5	1	reservoir	sodium cacodylate	0.1 (M)