6UE4

ShyA Endopeptidase from Vibrio cholerae (Closed form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97750
Spacegroup name	P 1 21 1
Unit cell lengths	61.115, 87.252, 74.973
Unit cell angles	90.00, 100.37, 90.00

Refinement procedure

Resolution	49.550 - 2.080
R-factor	0.1807
Rwork	0.178
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gu1
RMSD bond length	0.014
RMSD bond angle	2.007
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.119
Rmeas	0.129
Rpim	0.049
Number of reflections	46469	2295
<I/σ(I)>	4.3
Completeness [%]	99.4	99.3
Redundancy	6.7	6.6
CC(1/2)		0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.2 M Malonic Acid pH 6.0, 14% PEG 3350