3CYH

CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE SER-PRO

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	40.900, 52.400, 90.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.186 *
Rwork	0.191
R-free	0.23100 *
RMSD bond length	0.014
RMSD bond angle	2.900
Data reduction software	RIGAKU
Data scaling software	RIGAKU
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.900	1.900 *
Rmerge	0.056
Total number of observations	56836 *
Number of reflections	14311
Completeness [%]	90.0	74.4 *
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 (%)