5X0O

Regulatory domain of AphB treated with Cumene hydroperoxide 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	2015-06-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 21 21 2
Unit cell lengths	124.844, 189.418, 57.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.696 - 2.402
R-factor	0.211
Rwork	0.209
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fhk
RMSD bond length	0.003
RMSD bond angle	0.556
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]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.122	0.433
Number of reflections	51444
<I/σ(I)>	13.44	2.95
Completeness [%]	99.7	99.4
Redundancy	8.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.1M HEPES (pH 7.5), 15% PEG 8000, 10% ethylene glycol