7XXO

HapR Native in CHES buffer pH 9.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-11
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	43.935, 85.399, 110.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.890 - 2.487
R-factor	0.2226
Rwork	0.217
R-free	0.26790
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]	26.000	2.600
High resolution limit [Å]	2.480	2.480
Number of reflections	15058	15000
<I/σ(I)>	9
Completeness [%]	98.8
Redundancy	7
CC(1/2)	0.980	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	295	7% PEG 8000, 100 mM CHES pH 9.5, 200 mM NaCl