8X0S
Crystal structure of r(G4C2)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97891 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.971, 62.971, 129.227 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.710 - 2.956 |
| R-factor | 0.26293 |
| Rwork | 0.261 |
| R-free | 0.29995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 2.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
| Rmerge | 0.150 | 0.052 | 1.768 |
| Rmeas | 0.154 | 0.055 | 1.806 |
| Rpim | 0.033 | 0.015 | 0.362 |
| Total number of observations | 80176 | ||
| Number of reflections | 3568 | 228 | 172 |
| <I/σ(I)> | 2.9 | ||
| Completeness [%] | 99.9 | 100 | 100 |
| Redundancy | 22.5 | 18.4 | 24.8 |
| CC(1/2) | 0.976 | 0.998 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 40 mM Sodium Cacodylate trihydrate (pH 7.0), 10% MPD, 12 mM spermine tetrahydrochloride and 80mM KCl |
