5YER

Regulatory domain of HypT from Salmonella typhimurium (Bromide ion-bound)

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	2016-11-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92000
Spacegroup name	P 21 21 21
Unit cell lengths	63.142, 64.121, 100.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.062 - 2.301
R-factor	0.2147
Rwork	0.209
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ydo
RMSD bond length	0.002
RMSD bond angle	0.470
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.380	2.340
High resolution limit [Å]	2.300	2.340	2.300
Rmerge	0.100	0.271	0.255
Rpim	0.033	0.154	0.155
Number of reflections	18048	843	716
<I/σ(I)>	15.6	3.17	2.86
Completeness [%]	96.0	91.9	77.3
Redundancy	6.8	3.1	2.6
CC(1/2)		0.695	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.2M lithium sulfate, 0.1M sodium cacodylate (pH 6.5), 0.15M NaBr, 28%(v/v) PEG400.