5YEZ

Regulatory domain of HypT M206Q mutant from Salmonella typhimurium

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	PIXEL
Collection date	2016-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	51.204, 67.326, 192.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.479 - 2.600
R-factor	0.2366
Rwork	0.234
R-free	0.29070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ydo
RMSD bond length	0.003
RMSD bond angle	0.551
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]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.083
Rpim	0.029	0.239
Number of reflections	20398	933
<I/σ(I)>	18.72
Completeness [%]	95.9	90.3
Redundancy	7.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	287	0.1 M sodium citrate (pH 5.6) 2 % (v/v) tacsimate (pH 5.0), and 18% (v/v) PEG 3350.