7JIZ
ScDLH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-02-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.550, 123.604, 46.655 |
| Unit cell angles | 90.00, 100.98, 90.00 |
Refinement procedure
| Resolution | 42.750 - 1.850 |
| R-factor | 0.1672 |
| Rwork | 0.166 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f67 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.572 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.750 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.084 | 0.536 |
| Number of reflections | 40398 | 4112 |
| <I/σ(I)> | 13.14 | 3.64 |
| Completeness [%] | 97.9 | 99.76 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 20% w/v PEG3000, 0.1 M Tris, pH 7, 0.2 M calcium acetate |
