8CPN

Crystal structure of the PolB16_OarG intein variant S1A, N183A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.549800
Spacegroup name	P 32 2 1
Unit cell lengths	69.425, 69.425, 79.162
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.060 - 1.850
R-factor	0.2128
Rwork	0.211
R-free	0.24740
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.344
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.850	1.850
Rmeas	0.054
Number of reflections	36175	5587
<I/σ(I)>	19.31
Completeness [%]	98.9
Redundancy	9.3
CC(1/2)	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Phosphate/citrate pH 4.2 38% EtOH 5% PEG 1000