6UVI

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	2018-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	45.762, 85.922, 95.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.320 - 2.100
R-factor	0.2144
Rwork	0.208
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uv7
RMSD bond length	0.012
RMSD bond angle	1.196
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]	31.320	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.019	0.065
Rmeas	0.026	0.071
Rpim	0.019	0.028
Number of reflections	22287	22336
<I/σ(I)>	18.53	17.7
Completeness [%]	98.0
Redundancy	2
CC(1/2)	1.000

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