1W8V

Enzymatic and structural characterization of non peptide ligand cyclophilin complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-12-02
Detector	MARRESEARCH 300
Spacegroup name	P 21 21 21
Unit cell lengths	36.182, 56.593, 70.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 - 1.700
R-factor	0.174
Rwork	0.174
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cwh
RMSD bond length	0.007
RMSD bond angle	1.320
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	1.730
High resolution limit [Å]	1.900	1.700
Rmerge	0.050	0.140
Number of reflections	16375
<I/σ(I)>	18	5
Completeness [%]	99.5	98.5
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	14 MG/ML IN HEPES 20MM, NACL 100 MM AND NAN3 0.02 % (W/V). CRYSTALS OF HCYPA WERE GROWN BY VAPOUR DIFFUSION AT 17C BY THE HANGING DROP METHOD IN 100MM TRIS.HCL (PH 8.0), 22% (W/V) PEG 8000, 5% (V/V) DMSO, 0.02% NAN3.