7XY0

HapR Double mutant Y76F, F171C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-26
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	43.699, 85.677, 109.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.338 - 2.430
R-factor	0.2327
Rwork	0.227
R-free	0.28060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pbx
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.110	2.520
High resolution limit [Å]	2.430	2.430
Rmerge		0.952
Number of reflections	30704	1584
<I/σ(I)>	10.1
Completeness [%]	98.0
Redundancy	12.4
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	12% PEG 8000, 100 mM Tris pH 8.5, 200 mM MgCl2