8GUO

Crystal structure of the nuclease domain of EsaD in complex with EsaG from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-17
Detector	RAYONIX MX-300
Wavelength(s)	0.978690
Spacegroup name	I 4 2 2
Unit cell lengths	111.776, 111.776, 171.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.136 - 2.594
R-factor	0.208013796011
Rwork	0.206
R-free	0.22574
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.003
RMSD bond angle	0.735
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.600
Number of reflections	16955	16953
<I/σ(I)>	31.2
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.976	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Tris pH 8.5, 12% PEG6000, 0.15M NaCl, 10% Ethylene glycol, 0.5% Tacsimate pH 7.0, 1.0% PEG5000MME