7E1D
Se-DBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.814, 52.762, 97.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.349 - 2.002 |
| R-factor | 0.173 |
| Rwork | 0.169 |
| R-free | 0.21210 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.856 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 21571 | 12504 |
| <I/σ(I)> | 26.67 | |
| Completeness [%] | 99.5 | |
| Redundancy | 11 | |
| CC(1/2) | 0.997 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaCl, 0.1 M HEPES pH 7.0, and 20% (W/V) PEG6000 |
