8EIL

C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9774
Spacegroup name	F 2 3
Unit cell lengths	213.344, 213.344, 213.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 2.250
R-factor	0.217
Rwork	0.216
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 model
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (v722)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.159	0.059	2.636
Rmeas	0.161	0.060	2.679
Rpim	0.025	0.010	0.476
Total number of observations	1513126
Number of reflections	37994	1986	1878
<I/σ(I)>	2.9
Completeness [%]	100.0	100	100
Redundancy	39.8	39.9	31.3
CC(1/2)		1.000	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	45% Tacsimate