9DBJ

Structure of Hailong HalB R164A mutant with non-hydrolyzable dATP

This is a non-PDB format compatible entry.

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]	80
Detector technology	PIXEL
Collection date	2024-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	169.050, 169.050, 139.384
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.060 - 2.410
R-factor	0.2078
Rwork	0.207
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	2.540
High resolution limit [Å]	2.410	2.410
Rpim	0.064	0.734
Number of reflections	88945	12863
<I/σ(I)>	9.4
Completeness [%]	100.0
Redundancy	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES pH 7.0, 12.5% PEG-4000