8XZU

HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.33 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2023-09-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	P 43 2 2
Unit cell lengths	67.290, 67.290, 95.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.290 - 2.330
R-factor	0.2364
Rwork	0.234
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.397
Data reduction software	iMOSFLM (7.4.0)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.290	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.170	1.524
Rmeas	0.180	1.621
Rpim	0.060	0.545
Number of reflections	9878	933
<I/σ(I)>	10.5	1.5
Completeness [%]	100.0
Redundancy	8.8	8.5
CC(1/2)	0.997	0.543

Crystallization Conditions

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