7KZL

Cyclopentane peptide nucleic acid in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	90
Detector technology	CCD
Collection date	2017-12-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	54.704, 54.704, 39.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.090 - 1.300
R-factor	0.1728
Rwork	0.172
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	I-SAD
RMSD bond length	0.025
RMSD bond angle	2.358
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.090	1.340
High resolution limit [Å]	1.300	1.300
Rmerge	0.070	0.400
Number of reflections	28269	2597
<I/σ(I)>	35.4	8.2
Completeness [%]	99.8
Redundancy	18.4
CC(1/2)	0.990	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	100mM MES, 15% ethanol, 200mM Zinc acetate