37TH

Minimal diadenylate cyclase from E. coli PanDA immune system - NO IEX

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	67.537, 67.568, 169.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 2.140
R-factor	0.2272
Rwork	0.226
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	2.200
High resolution limit [Å]	2.140	2.140
Rpim	0.027	0.297
Number of reflections	43525	3064
<I/σ(I)>	22.1	2.5
Completeness [%]	99.8	99.5
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	4.0M sodium formate at 7 mg/mL with no additional cryoprotectant