8WSV

Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-08-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541870
Spacegroup name	P 43 2 2
Unit cell lengths	67.470, 67.470, 95.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.650 - 2.010
R-factor	0.2322
Rwork	0.230
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8pq4
RMSD bond length	0.002
RMSD bond angle	0.432
Data reduction software	iMOSFLM (7.4.0)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.470	2.120
High resolution limit [Å]	2.010	2.010
Rmerge	0.065	0.116
Rmeas	0.070	0.125
Rpim	0.026	0.046
Number of reflections	14952	2096
<I/σ(I)>	21	13
Completeness [%]	98.1	96.6
Redundancy	7	7
CC(1/2)	0.997	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.2	277.15	Sodium phosphate dibasic/ Potassium phosphate monobasic, Sodium chloride, PEG 200