5ORQ

Crystal structure of designed cPPR-Telo1 in complex with ssDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 41 21 2
Unit cell lengths	114.831, 114.831, 83.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 1.950
R-factor	0.191
Rwork	0.189
R-free	0.22800
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	autoSHARP
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.320	47.320	2.000
High resolution limit [Å]	1.930	7.480	1.930
Rmerge	0.072	0.059	2.024
Rmeas	0.074	0.061	2.059
Rpim	0.014	0.015	0.380
Number of reflections	42266	846	4084
<I/σ(I)>	29.3
Completeness [%]	99.4	99.5	99.4
Redundancy	27.1	19.8	28.7
CC(1/2)	0.999	0.998	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	100mM Sodium acetate pH 4.6, 20mM calcium chloride, and 22% MPD