8ASA
Crystal structure of AO75L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.919319 |
| Spacegroup name | P 1 |
| Unit cell lengths | 86.708, 90.772, 91.676 |
| Unit cell angles | 90.46, 108.60, 109.71 |
Refinement procedure
| Resolution | 76.840 - 2.200 |
| R-factor | 0.1962 |
| Rwork | 0.194 |
| R-free | 0.24090 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.244 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.840 | 76.840 | 2.310 |
| High resolution limit [Å] | 2.180 | 6.520 | 2.180 |
| Rmerge | 0.054 | 0.024 | 0.373 |
| Rmeas | 0.076 | 0.034 | 0.527 |
| Total number of observations | 427470 | ||
| Number of reflections | 237952 | 8805 | 35909 |
| <I/σ(I)> | 9.84 | 25.27 | 2.36 |
| Completeness [%] | 92.1 | 91.2 | 86.1 |
| Redundancy | 1.796 | 1.815 | 1.776 |
| CC(1/2) | 0.996 | 0.997 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.1 | 291 | 37.5% PEG3350, PEG1K, MPD 0.1M Tris-0.1M Bicine 0.03M MgCl2, 0.03CaCl2 |
