1CYN

CYCLOPHILIN B COMPLEXED WITH [D-(CHOLINYLESTER)SER8]-CYCLOSPORIN

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	37.460, 46.944, 115.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.850
R-factor	0.16
Rwork	0.160
RMSD bond length	0.013
RMSD bond angle	2.650
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.850	1.850 *
Rmerge	0.048 *
Total number of observations	56456 *
Number of reflections	15219
Completeness [%]	84.1	52 *

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	100 (mM)
10	1	reservoir		0.04 (%)
2	1	drop	PEG8000	9.75 (%(w/v))
3	1	drop	dimethyl sulfoxide	2.5 (%)
4	1	drop		0.02 (%)
5	1	drop	cyclophilin B	0.5 (mM)
6	1	drop	[CES8]CsA	0.5 (mM)
7	1	reservoir	Tris-HCl	100 (mM)
8	1	reservoir	PEG8000	19.5 (%(w/v))
9	1	reservoir	dimethyl sulfoxide	5 (%(v/v))