7QWD
CC-Type2-(Ug)4
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 | 2020-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9190 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.108, 48.994, 89.376 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.350 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.24860 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.516 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.403 |
| High resolution limit [Å] | 1.350 | 1.354 |
| Rmerge | 0.459 | |
| Rmeas | 0.461 | 10.610 |
| Rpim | 0.049 | 1.529 |
| Number of reflections | 32660 | 2788 |
| <I/σ(I)> | 11.11 | 0.25 |
| Completeness [%] | 97.5 | 85.21 |
| Redundancy | 76.4 | 47.5 |
| CC(1/2) | 0.996 | 0.357 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.5 mM peptide, 50 mM SPG, 25 % w/v PEG 1500, at pH 6.0. |
