2RMB

Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 1 21 1
Unit cell lengths	72.600, 160.600, 95.300
Unit cell angles	90.00, 90.90, 90.00

Refinement procedure

Resolution	6.000 * - 2.100
R-factor	0.184
Rwork	0.184
RMSD bond length	0.110
RMSD bond angle	2.690
Phasing software	X-PLOR
Refinement software	X-PLOR

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	8.5 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	complex	13 (mg/ml)
10	1	2	CsA	0.1 (mM)
2	1	2	Tris	20 (mM)
3	1	2	dithiothreitol	2 (mM)
4	1	2	EDTA	2 (mM)
5	1	2		0.5 (mM)
6	1	2	PEG3350	13 (%)
7	1	2	ethanol	10 (%)
8	1	2	isopropanol	2 (%)
9	1	2	ammonium sulfate	0.32 (M)