5JRK

Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (SeMet-derived)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	111.105, 133.501, 169.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 3.000
R-factor	0.2381
Rwork	0.237
R-free	0.25850
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.543
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.17)
Phasing software	PHENIX (1.10-2152)
Refinement software	PHENIX (1.10_2152)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.080	49.080	3.090
High resolution limit [Å]	3.000	12.370	3.000
Rmerge	0.219	0.074	2.780
Number of reflections	51096
<I/σ(I)>	12.9
Completeness [%]	100.0	98.5	100
Redundancy	13.3	20.5	27.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291.15	0.1 M BICINE, 10%(w/v) PEG 6000, pH 9.0