5ZNX

Crystal structure of CM14-treated HlyU 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	2017-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 41 21 2
Unit cell lengths	35.142, 35.142, 180.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.744 - 2.114
R-factor	0.2398
Rwork	0.238
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jth
RMSD bond length	0.004
RMSD bond angle	0.808
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.114	2.114
Rmerge	0.114	0.208
Rmeas	0.116	0.217
Rpim	0.021	0.062
Number of reflections	6980	307
<I/σ(I)>	24.1	5.6
Completeness [%]	97.2	92.2
Redundancy	19.7	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287	0.1M HEPES (pH 8.0), 20% polyethylene glycol (PEG) 4K, 10% 2-propanol