1CWF

HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	36.400, 61.420, 72.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.860
R-factor	0.177
Rwork	0.177
RMSD bond length	0.012
RMSD bond angle	1.590
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
High resolution limit [Å]	1.860 *
Rmerge	0.053 *
Total number of observations	51113 *
Number of reflections	13548 *
Completeness [%]	95.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	295 *

Crystallization Reagents in Literatures

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