9ZXN

DDB1 delta with compound 26

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	2024-10-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	.92019
Spacegroup name	P 21 21 21
Unit cell lengths	67.420, 116.070, 120.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.930 - 2.070
Rwork	0.188
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.626
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.930	2.090
High resolution limit [Å]	2.070	2.070
Rmerge	0.155	0.961
Rmeas	0.165	1.026
Rpim	0.056	0.354
Number of reflections	59921	1428
<I/σ(I)>	9.41	1.29
Completeness [%]	97.5
Redundancy	8.5
CC(1/2)	0.997	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium acetate, 0.1M Bis Tris pH 5.5-6.5, and 25% PEG 3350