5LOY

Helical Assembly of a Designed Anbu Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	170.742, 170.742, 92.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 2.500
R-factor	0.1831
Rwork	0.181
R-free	0.22237
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lox
RMSD bond length	0.012
RMSD bond angle	1.487
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.117	0.991
Number of reflections	47607
<I/σ(I)>	18.96	2.5
Completeness [%]	99.8	98.9
Redundancy	10.9	10.7
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES-NaOH pH 7.0, 0.6 M NaF