7QE1
Crystal structure of apo SN243
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.280, 90.760, 103.290 |
| Unit cell angles | 67.22, 84.03, 76.91 |
Refinement procedure
| Resolution | 51.887 - 1.950 |
| R-factor | 0.2428 |
| Rwork | 0.240 |
| R-free | 0.29040 |
| Structure solution method | SAD |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.890 | 51.890 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.073 | 0.043 | 2.886 |
| Rmeas | 0.080 | 0.047 | 3.172 |
| Rpim | 0.032 | 0.018 | 1.300 |
| Total number of observations | 735719 | 8364 | 51412 |
| Number of reflections | 123601 | 1362 | 8945 |
| <I/σ(I)> | 9 | 27.4 | 0.6 |
| Completeness [%] | 97.6 | 96.5 | 95.9 |
| Redundancy | 6 | 6.1 | 5.7 |
| CC(1/2) | 0.998 | 0.997 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.1 M MES pH 6.5, 0.01 M ZnSO4 and 25% PEG MME 550 |
