5YDV

Regulatory domain of HypT from Salmonella typhimurium complexed with HOCl (HOCl-bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 41 21 2
Unit cell lengths	63.293, 63.293, 101.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.480 - 1.752
R-factor	0.2109
Rwork	0.209
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ydo
RMSD bond length	0.005
RMSD bond angle	0.774
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.056	0.325
Rpim	0.012	0.112
Number of reflections	21030	1032
<I/σ(I)>	42.61	4.98
Completeness [%]	98.1	99.4
Redundancy	18.4	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	0.2M lithium sulfate, 0.1M sodium cacodylate (pH 6.5), and 30%(v/v) PEG 400