1E8K

Cyclophilin 3 Complexed With Dipeptide Ala-Pro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	61.035, 61.035, 122.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.1826
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dyw
RMSD bond length	0.030 *
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.079 *	0.332 *
Total number of observations	152448 *
Number of reflections	19230
<I/σ(I)>	12.85	2.13
Completeness [%]	97.6	88.2
Redundancy	7.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6	16 *	Dornan, J., (1999) J.Biol.Chem., 274, 34877. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	drop	sodium citrate	50 (mM)
3	1	drop	mPEG5000	29-31 (%(w/v))
4	1	reservoir	sodium citrate	100 (mM)
5	1	reservoir	mPEG5000	31 (%)