4UQG
A new bio-isosteric base pair based on reversible bonding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.442, 93.996, 105.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.160 - 2.000 |
| R-factor | 0.17977 |
| Rwork | 0.178 |
| R-free | 0.21116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xy5 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.663 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.160 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.920 |
| Number of reflections | 59562 | |
| <I/σ(I)> | 22.05 | 2.59 |
| Completeness [%] | 99.6 | 96.3 |
| Redundancy | 8.8 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 46-49% AMMONIUM SULFATE, 2-3% MPD, 100MM MES PH5.8 |
