6UV7

Crystal structure of alr1298, a pentapeptide repeat protein from Nostoc Pcc 7120, determined at 2.3 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	45.842, 86.363, 96.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.270
R-factor	0.2043
Rwork	0.199
R-free	0.25090
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.288
Data reduction software	XDS (1.1.7)
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.020	2.400
High resolution limit [Å]	2.270	2.270
Rmerge	0.028
Rmeas	0.039
Rpim	0.028
Number of reflections	18106	18173
<I/σ(I)>	17.18
Completeness [%]	99.6
Redundancy	2	12.6
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Ammonium acetate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% w/v Polyethylene glycol 4,000