9NZG

De novo designed exatecan-binding protein, EPIC Q51N

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92020
Spacegroup name	I 21 21 21
Unit cell lengths	55.182, 66.003, 177.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.450 - 2.210
R-factor	0.277
Rwork	0.275
R-free	0.32460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.625
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.450	2.253
High resolution limit [Å]	2.210	2.214
Rmeas	0.335
Number of reflections	16166	812
<I/σ(I)>	3	0.7
Completeness [%]	99.9
Redundancy	4.8	4.9
CC(1/2)	0.995	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	295	MCSG-3 well A2 solution (0.1 M Sodium Phosphate Dibasic: Citric Acid, pH 4.2, 2 M Ammonium Sulfate)