5OL7

Crystal structure of an inactivated Npu SICLOPPS intein with CFAHPQ extein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	58.920, 68.417, 95.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.679 - 1.600
R-factor	0.1581
Rwork	0.157
R-free	0.18980
RMSD bond length	0.006
RMSD bond angle	0.967
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.700	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	24628	2517
<I/σ(I)>	18	2.5
Completeness [%]	94.7	98.2
Redundancy	5.1	4.9
CC(1/2)	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	200mM calcium acetate, 100mM MES pH 6.5, 10% (w/v) PEG8000