6VGW

Crystal structure of VidaL intein (selenomethionine variant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	101.486, 40.632, 36.023
Unit cell angles	90.00, 103.55, 90.00

Refinement procedure

Resolution	35.020 - 1.510
R-factor	0.1703
Rwork	0.169
R-free	0.19010
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.879
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.020	1.550
High resolution limit [Å]	1.510	1.510
Rmerge	0.072	0.689
Rmeas	0.080	0.765
Rpim	0.034	0.328
Number of reflections	21755	1513
<I/σ(I)>	14.3	2.3
Completeness [%]	97.2	91.3
Redundancy	10.3	10
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M sodium acetate (pH 4.6) with 2 M ammonium sulfate