5BKH

The splicing activity and an alternative domain-swapped structure of the Pyrococcus horikoshii PolII mini-intein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9791
Spacegroup name	P 63 2 2
Unit cell lengths	128.931, 128.931, 79.251
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.200 - 2.430
R-factor	0.2426
Rwork	0.239
R-free	0.27440
Structure solution method	SAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (v1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.310
High resolution limit [Å]	2.270	6.160	2.270
Rmerge	0.074	0.032
Rmeas	0.077	0.033
Rpim	0.023	0.009	0.435
Total number of observations	227296
Number of reflections	16787	896	839
<I/σ(I)>	8.8
Completeness [%]	91.0	85.1	93.5
Redundancy	13.5	12.8	12.9
CC(1/2)		1.000	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris HCl, pH 8.5, with 1.8 M ammonium sulfate, 0.1 M sodium chloride, and 1% glycerol