5X0N

Regulatory domain of variant C227S AphB from Vibrio vulnificus

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	2016-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	230.282, 72.385, 112.211
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	38.934 - 2.993
R-factor	0.2394
Rwork	0.237
R-free	0.29110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fhk
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.934	3.050
High resolution limit [Å]	2.993	3.000
Rmerge	0.169	0.445
Number of reflections	28983
<I/σ(I)>	7.19	2.14
Completeness [%]	97.2	90.6
Redundancy	4.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287	0.25M Potassium thiocynate (pH 7), 16% PEG 3350