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 |