3EOV

Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2008-01-01
Detector	MAR scanner 300 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	69.810, 83.125, 73.580
Unit cell angles	90.00, 103.03, 90.00

Refinement procedure

Resolution	27.480 - 2.600
R-factor	0.207
Rwork	0.207
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2haq
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.052	0.251
Number of reflections	12040
<I/σ(I)>	14.1	2.6
Completeness [%]	95.3	96.5
Redundancy	4.11	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.02M TRIS, 15% PEG3350, 0.1M NACL, 0.02% AZIDE, PH 8.5, 6% ETHYL ALCOHOL, CONCENTRATION: 10 MG/ML 1:1 CYCLOPHILIN-CYCLOSPORIN COMPLEX, TEMPERATURE 292K, BATCH METHOD, PH 8.50, SMALL TUBES