6FJ4
Structure of FAE solved by SAD from data collected at the peak of the Selenium absorption edge on ID30B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 112.023, 112.023, 65.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.210 - 1.700 |
| R-factor | 0.16118 |
| Rwork | 0.160 |
| R-free | 0.17786 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.695 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.210 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 1.390 |
| Rmeas | 0.091 | 1.830 |
| Rpim | 0.041 | 0.840 |
| Number of reflections | 46013 | 2462 |
| <I/σ(I)> | 11.2 | 0.9 |
| Completeness [%] | 96.3 | 96.1 |
| Redundancy | 2.4 | 2.3 |
| CC(1/2) | 0.997 | 0.318 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 50 mM CdSO4, 5% (v/v) glycerol, and 1 M Na-acetate |
