5JRL

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 1 21 1
Unit cell lengths	108.466, 136.586, 110.777
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	48.394 - 3.200
R-factor	0.2234
Rwork	0.221
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jrk
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.10-2152)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.394	48.394	3.300
High resolution limit [Å]	3.200	13.190	3.200
Rmerge	0.098	0.032	0.654
Number of reflections	52747
<I/σ(I)>	10.1
Completeness [%]	99.7	97.6	99.9
Redundancy	3.5	3.4	3.6
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M sodium acetate, 20%(w/v) PEG 3350