7QFZ

BrxR, a WYL-domain containing transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	131.125, 131.125, 358.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.350 - 2.150
R-factor	0.2209
Rwork	0.220
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BrxR AF2 model
RMSD bond length	0.008
RMSD bond angle	1.160
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.350	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.040	0.625
Rmeas	0.057	0.884
Number of reflections	169928	16130
<I/σ(I)>	9.5	0.5
Completeness [%]	100.0	100
Redundancy	1.9
CC(1/2)	0.998	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	BTP pH 7.5 0.1M Sodium Sulphate 0.2M PEG 3350 20% 1:1 ratio Final BrxR conc @ 5 mg/ml