9VRV

HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - L2' Conformation at 1.41 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-07-11
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.3776
Spacegroup name	P 43 2 2
Unit cell lengths	67.444, 67.444, 95.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.880 - 1.410
R-factor	0.1586
Rwork	0.157
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.281
Data scaling software	autoPROC
Phasing software	BUSTER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.880	1.462
High resolution limit [Å]	1.410	1.412
Rmerge	0.126
Rpim	0.021	0.945
Number of reflections	80602	3246
<I/σ(I)>	15.15
Completeness [%]	93.6
Redundancy	34.3
CC(1/2)	1.000	0.430

Crystallization Conditions

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