6OMX

Crystal structure of alr5209, a pentapeptide repeat protein from Nostoc Pcc 7120, determined at 1.7 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	2019-03-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 2 2 21
Unit cell lengths	71.001, 27.835, 60.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.501 - 1.710
R-factor	0.2184
Rwork	0.215
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8k
RMSD bond length	0.009
RMSD bond angle	1.112
Data reduction software	XDS (1.1.7)
Data scaling software	Aimless (0.7.1)
Phasing software	BALBES (1.1.5)
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.800
High resolution limit [Å]	1.710	1.710
Rmerge	0.039	0.596
Rmeas	0.042	0.647
Rpim	0.017	0.248
Number of reflections	13612	1946
<I/σ(I)>	22
Completeness [%]	98.8	99.6
Redundancy	2	6.6
CC(1/2)	1.000	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.15 M Potassium sodium tartrate tetrahydrate, 0.075 M Sodium citrate tribasic dihydrate pH 5.6, 1.5 M Ammonium sulfate, 25% v/v Glycerol