3AWD
Crystal structure of gox2181
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.273, 121.416, 136.546 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.15224 |
| Rwork | 0.151 |
| R-free | 0.18448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.189 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.910 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.095 | 0.503 |
| Number of reflections | 92746 | |
| <I/σ(I)> | 24.3 | 4.03 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | PEG 8K MG, HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
