7XXT

HapR Quadruple mutant, bound to IMTVC-212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-02
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	89.987, 44.953, 53.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.786 - 2.501
R-factor	0.2106
Rwork	0.205
R-free	0.25890
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]	27.350	2.580
High resolution limit [Å]	2.490	2.490
Number of reflections	14492	693
<I/σ(I)>	12.6
Completeness [%]	99.1	90.8
Redundancy	9.1
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	297	7-8% PEg 8000, 100 mM CHES pH 9.5, 200 mM NaCl