7RIL
Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97741 |
Spacegroup name | P 31 |
Unit cell lengths | 33.910, 33.910, 47.461 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.367 - 1.800 |
R-factor | 0.2052 |
Rwork | 0.203 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ideal duplex |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.460 | 47.460 | 1.680 |
High resolution limit [Å] | 1.650 | 8.890 | 1.650 |
Rmerge | 0.047 | 0.027 | 2.023 |
Rmeas | 0.050 | 0.028 | 2.144 |
Rpim | 0.017 | 0.010 | 0.704 |
Total number of observations | 65231 | 486 | 3628 |
Number of reflections | 7383 | 53 | 398 |
<I/σ(I)> | 10.6 | 43 | 0.9 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 8.8 | 9.2 | 9.1 |
CC(1/2) | 1.000 | 0.999 | 0.485 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10 mM Tris pH 7.5, 24% 2-methyl-2,4-pentanediol (MPD) and 35 mM calcium acetate, with 35% MPD |