5CYH

CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE GLY-PRO

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	40.800, 52.400, 90.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.175 *
Rwork	0.190
R-free	0.25000 *
RMSD bond length	0.015
RMSD bond angle	3.000
Data reduction software	RIGAKU
Data scaling software	RIGAKU
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.062
Total number of observations	35845 *
Number of reflections	8424
Completeness [%]	75.5 *	66 *
Redundancy	4

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	CyPA	10-15 (mg/ml)
2	1	2	Tris base	20 (mM)
3	1	2	EDTA	2 (mM)
4	1	2	2-mercaptoethanol	2 (mM)
5	1	2		0.5 (mM)
6	1	2	ethanol	6.7 (%)
7	1	2	PEG3350	11-13 (%)