7XYI

HapR Quadruple mutant Y76F, L97I, I141V, F171C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-23
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	88.545, 43.448, 53.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.750 - 2.470
R-factor	0.2158
Rwork	0.211
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xxo
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]	26.830	2.560
High resolution limit [Å]	2.470	2.470
Number of reflections	14299	774
<I/σ(I)>	12.5	2.5
Completeness [%]	99.9
Redundancy	8.6
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	297	8%PEG 8000, 100mM CHES 9.5, 200mM NaCl