11CP

Crystal structure of apo-TDPr3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 41 21 2
Unit cell lengths	80.434, 80.434, 167.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.660 - 2.700
R-factor	0.2314
Rwork	0.229
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.679
Data reduction software	AutoPD
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.660	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.140	1.144
Rpim	0.043	0.348
Number of reflections	15099	2038
<I/σ(I)>	12.6	2.6
Completeness [%]	95.5	100
Redundancy	12	12.3
CC(1/2)	0.998	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.07 M Sodium acetate trihydrate pH 4.6, 5.6% w/v Polyethylene glycol 4,000, and 30% v/v Glycerol