7QWE
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 | 45.871, 58.490, 110.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.420 - 1.340 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.23700 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.347 |
| 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] | 42.420 | 1.389 |
| High resolution limit [Å] | 1.340 | 1.341 |
| Rmerge | 0.208 | |
| Rmeas | 0.210 | 21.310 |
| Rpim | 0.030 | 2.984 |
| Number of reflections | 67638 | 6657 |
| <I/σ(I)> | 8.23 | |
| Completeness [%] | 99.8 | 99.48 |
| Redundancy | 50.1 | 49.9 |
| CC(1/2) | 1.000 | 0.211 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5 mM peptide, 50 mM Sodium HEPES, 10 % w/v PEG 4000, and 5 % v/v 2-Propanol, at pH 7.5. |
