8XB7

HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.6 angstrom resolution

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	2023-09-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541870
Spacegroup name	P 43 2 2
Unit cell lengths	66.640, 66.640, 94.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.460 - 2.600
R-factor	0.2075
Rwork	0.203
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8pq4
RMSD bond length	0.002
RMSD bond angle	0.528
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]	66.640	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.084	0.435
Rmeas	0.092	0.475
Rpim	0.036	0.188
Number of reflections	6948	966
<I/σ(I)>	16.1	4.4
Completeness [%]	99.6	99
Redundancy	6.1	6.1
CC(1/2)	0.998	0.839

Crystallization Conditions

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