7QSU

Crystal structure of homing endonuclease-associated TliVMA intein (C1A, d333-339)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	69.570, 43.960, 72.120
Unit cell angles	90.00, 104.62, 90.00

Refinement procedure

Resolution	37.200 - 1.900
R-factor	0.1778
Rwork	0.176
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qss
RMSD bond length	0.008
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.1_3469)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.200	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.858
Number of reflections	33640	5361
<I/σ(I)>	19.3
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	1.000	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM HEPES pH 7.5, 70% (v/v) 2-methyl-2,4-pentanediol (MPD)