2HAQ

Crystal Structure of Cyclophilin A from Leishmania Donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2004-06-08
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	48.590, 48.590, 141.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.930 - 1.970
R-factor	0.178
Rwork	0.178
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1XO7.PDB
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.930	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.068	0.293
Number of reflections	12516
<I/σ(I)>	30.1	4.5
Completeness [%]	99.0	86.6
Redundancy	8.1	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.01M TRIS, 7.5% PEG3350, 0.005M IMID 0.02% AZIDE, PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE RESERVOIR CONTAINING 40% PEG3350 IN THE SAME BUFFER. PROTEIN CONCENTRATION: 10 MG/ML, temperature 293K