4CS1
Crystal structure of a simple duplex kink turn, HmKt-7 with 2 Mg bound.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 70.081, 70.081, 47.518 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.415 - 2.000 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c40 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.805 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.400 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 1.330 |
| Number of reflections | 4920 | |
| <I/σ(I)> | 14.8 | 1.4 |
| Completeness [%] | 98.4 | 99.6 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 3.5 M SODIUM FORMATE, 0.1 M SODIUM ACETATE PH 4.6 |
