2CYH

CYCLOPHILIN A COMPLEXED WITH DIPEPTIDE ALA-PRO

Replaces:  1CYH

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	40.700, 52.300, 90.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.640
R-factor	0.185
Rwork	0.185
R-free	0.22800 *
RMSD bond length	0.013
RMSD bond angle	2.560
Data reduction software	RIGAKU
Data scaling software	RIGAKU
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.640	1.640 *
Rmerge	0.051
Total number of observations	55553 *
Number of reflections	21601
<I/σ(I)>	1
Completeness [%]	89.0	71.1 *
Redundancy	2.6

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 (%)