7T8K

BrxR from Acinetobacter BREX type I phage restriction system bound to DNA

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	2021-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	151.586, 71.477, 87.413
Unit cell angles	90.00, 105.13, 90.00

Refinement procedure

Resolution	64.220 - 2.300
R-factor	0.1979
Rwork	0.196
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo BrxR
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.380
High resolution limit [Å]	2.300	4.960	2.300
Rmerge	0.096	0.063	0.612
Rmeas	0.105	0.068	0.668
Rpim	0.042	0.027	0.264
Total number of observations	239308
Number of reflections	38735	3987	3929
<I/σ(I)>	11.3
Completeness [%]	97.5	97.6	100
Redundancy	6.2	6.1	6.1
CC(1/2)		0.997	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	300	0.04 M Citric acid, 20% w/v PEG 3350, 0.06 M BIS-TRIS propane, pH 6.4