8CPO

Crystal structure of the PolB16_OarG intein variant S1A, N183A, C111A, C165A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976252
Spacegroup name	P 32 2 1
Unit cell lengths	68.899, 68.899, 79.093
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.634 - 2.600
R-factor	0.2441
Rwork	0.242
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.624
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.600	2.600
Rmeas	0.047	0.975
Number of reflections	7009	1109
<I/σ(I)>	37.59
Completeness [%]	99.6
Redundancy	19.2
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Phosphate/citrate pH 4.2, 38% EtOH 5% PEG 1000