5HZU
Crystal structure of Dronpa-Ni2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 105.372, 109.403, 72.087 |
| Unit cell angles | 71.11, 85.97, 61.30 |
Refinement procedure
| Resolution | 29.030 - 1.890 |
| R-factor | 0.1534 |
| Rwork | 0.151 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gx2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.064 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.890 |
| Number of reflections | 198444 |
| <I/σ(I)> | 22.185 |
| Completeness [%] | 94.9 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295.5 | PEG 4000, Tris-HCl, MgCl2 |
