9EIE

Trypanosomatid-specific protein of unknown function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	110.225, 71.647, 67.084
Unit cell angles	90.00, 94.62, 90.00

Refinement procedure

Resolution	45.714 - 2.450
Rwork	0.203
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold3-generated model from run in Oct 2024
RMSD bond length	0.016
RMSD bond angle	2.150
Data reduction software	DENZO
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.714	2.510
High resolution limit [Å]	2.420	2.420
Rmerge	0.099	0.482
Rmeas	0.118	0.629
Rpim	0.062	0.398
Total number of observations		1471
Number of reflections	17796	851
<I/σ(I)>	8.3	1.3
Completeness [%]	88.8
Redundancy	3.3	1.7
CC(1/2)	0.996	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 M K2HPO4, 0.1 M Tris pH 8, 30% PEG 20000