9NZE

De novo designed exatecan-binding protein, EPIC

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	2024-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	91.027, 93.683, 94.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.640 - 1.960
R-factor	0.2516
Rwork	0.250
R-free	0.28570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.305
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]	32.640	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.112	1.200
Rmeas		1.300
Number of reflections	57358	2903
<I/σ(I)>	9.4	1.5
Completeness [%]	97.5	100
Redundancy	6.6	6.8
CC(1/2)	0.997	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	295	Molecular Dimensions MCSG-3 well D6 solution (0.2 M Zinc Acetate, 0.1 M MES: NaOH, pH 6, 10 % (w/v) PEG 8000)