7T8L

BrxR from Acinetobacter BREX type I phage restriction system

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	2020-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	65.414, 48.672, 96.005
Unit cell angles	90.00, 102.25, 90.00

Refinement procedure

Resolution	63.920 - 2.000
Rwork	0.191
R-free	0.23840
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.571
Data reduction software	DIALS (2.1.3)
Data scaling software	Aimless (0.7.4)
Phasing software	CRANK2 (2.0.229)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.920	63.920	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.078	0.042	0.317
Rmeas	0.108	0.059	0.438
Rpim	0.074	0.041	0.300
Number of reflections	40089	495	2882
<I/σ(I)>	6.9
Completeness [%]	99.5	99.7	97.7
Redundancy	3	2.8	2.8
CC(1/2)	0.985	0.993	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	300	10%PEG3000 / 0.1 M Hepes, pH 7.3 / 2% Benz-HCL