1NMK

The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-02-26
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.200, 67.300, 78.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.16453
Rwork	0.163
R-free	0.18891
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cwa
RMSD bond length	0.013
RMSD bond angle	1.406
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.170
High resolution limit [Å]	2.100	2.100
Number of reflections	18318
<I/σ(I)>	15.9	4.1
Completeness [%]	99.3	99.9
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	293	PEG 6000, tris-HCl, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K