9UPI

Entamoeba histolytica Cyclophilin 18 in complex with Cyclosporin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-28
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	37.622, 85.826, 62.961
Unit cell angles	90.00, 104.56, 90.00

Refinement procedure

Resolution	28.710 - 1.700
R-factor	0.1521
Rwork	0.151
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.710	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	42507	2212
<I/σ(I)>	17.3	3.3
Completeness [%]	99.9	99.8
Redundancy	4.5	2.8
CC(1/2)	0.998	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000