7ECH
Crystal Structure of d(G4C2)2-K in F222 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 57.216, 61.059, 110.427 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.080 - 2.380 |
| R-factor | 0.2169 |
| Rwork | 0.215 |
| R-free | 0.25980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ecg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.429 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.420 |
| High resolution limit [Å] | 2.380 | 6.460 | 2.380 |
| Rmerge | 0.084 | 0.051 | 0.455 |
| Rmeas | 0.089 | 0.055 | 0.480 |
| Rpim | 0.028 | 0.018 | 0.147 |
| Total number of observations | 41272 | ||
| Number of reflections | 3951 | 225 | 192 |
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 97.8 | 97 | 91.4 |
| Redundancy | 10.4 | 8 | 8.4 |
| CC(1/2) | 0.996 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 289 | 50 mM Sodium Cacodylate trihydrate pH 6.0, 45% MPD, 12 mM spermine tetrahydrochloride, 80 mM KCl and 20 mM MgCl2 with the same reservoir buffer |
