1CWA

X-RAY STRUCTURE OF A MONOMERIC CYCLOPHILIN A-CYCLOSPORIN A CRYSTAL COMPLEX AT 2.1 ANGSTROMS RESOLUTION

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	36.395, 60.718, 72.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.167
Rwork	0.167
RMSD bond length	0.013
RMSD bond angle	2.640
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.074 *
Total number of observations	21441 *
Number of reflections	8732
Completeness [%]	88.9	55.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	22 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)
10	1	reservoir		0.04 (%)
2	1	drop	PEG8000	9.5 (%(w/v))
3	1	drop	DMSO	5 (%(v/v))
4	1	drop		0.02 (%)
5	1	drop	cyclophilin	0.5 (mM)
6	1	drop	cyclosporin derivative	0.5 (mM)
7	1	reservoir	Tris-HCl	100 (mM)
8	1	reservoir	PEG8000	19 (%(w/v))
9	1	reservoir	DMSO	5 (%(v/v))