2H5O
Crystal structure of mOrange
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-02 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.297, 62.353, 107.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.080 |
| R-factor | 0.145 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 0.040 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 170025 | |
| Completeness [%] | 100.0 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 298 | 200 mM MgCl2, 100mM Tris pH 8.2, 28% PEG 1550, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.00 |
