7OEC

Crystal structure of an intein from a hyperthermophile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	70.820, 70.820, 70.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.410 - 1.480
R-factor	0.1555
Rwork	0.154
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rpq
RMSD bond length	0.017
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.410	1.533
High resolution limit [Å]	1.480	1.480
Number of reflections	30560	2977
<I/σ(I)>	16.35	4.22
Completeness [%]	99.9	99.97
Redundancy	25.4
CC(1/2)	0.998	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES pH 6, 15 % (W/v) PEG 550 MME, 30 mM zinc sulfate