9EGB

AclA from Tenacibaculum discolor in complex with substrate

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]	100
Detector technology	PIXEL
Collection date	2023-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	205.002, 84.395, 164.975
Unit cell angles	90.00, 105.33, 90.00

Refinement procedure

Resolution	29.820 - 3.000
R-factor	0.1787
Rwork	0.176
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.820	3.090
High resolution limit [Å]	3.000	3.000
Rmerge	0.267	1.771
Rmeas	0.289	1.902
Rpim	0.107	0.406
Number of reflections	54050	4404
<I/σ(I)>	8.8	1.4
Completeness [%]	98.9
Redundancy	7.1	7.5
CC(1/2)	0.990	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	DL-Malic Acid, PEG-3350, MgCl2