7QSS

Crystal structure of homing endonuclease-associated TliVMA intein (C1A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	48.800, 96.180, 96.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.960 - 1.560
R-factor	0.1826
Rwork	0.181
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qst
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.960	1.650
High resolution limit [Å]	1.560	1.560
Rmerge	0.569
Number of reflections	65400	10414
<I/σ(I)>	13.32
Completeness [%]	99.5
Redundancy	4.4
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM magnesium formate and 15% (w/v) PEG 3350