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 |