8YCV

HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.16 angstrom resolution (STARANISO processed)

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	67.169, 67.169, 95.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.170 - 2.160
R-factor	0.2035
Rwork	0.202
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.499
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21rc1_4903)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.170	2.330
High resolution limit [Å]	2.160	2.160
Rmerge	0.135	1.022
Rmeas	0.147	1.172
Rpim	0.055	0.553
Number of reflections	8907	445
<I/σ(I)>	9.4	1.4
Completeness [%]	73.2	19.3
Redundancy	6.8	4.1
CC(1/2)	0.997	0.460

Crystallization Conditions

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