5HZT
Crystal structure of Dronpa-Cu2+
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 | 72.268, 105.961, 108.030 |
| Unit cell angles | 115.89, 107.68, 94.12 |
Refinement procedure
| Resolution | 29.940 - 2.840 |
| R-factor | 0.2157 |
| Rwork | 0.214 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gx2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.713 |
| 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] | 2.840 |
| Number of reflections | 58449 |
| <I/σ(I)> | 19.27 |
| Completeness [%] | 93.6 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295.5 | PEG 4000, Tris-HCl, MgCl2 |
