7QWB
CC-Type2-(Ue)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.946, 57.211, 43.946 |
| Unit cell angles | 90.00, 96.66, 90.00 |
Refinement procedure
| Resolution | 43.690 - 1.640 |
| R-factor | 0.1814 |
| Rwork | 0.179 |
| R-free | 0.22650 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.451 |
| 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] | 43.690 | 1.699 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.107 | 1.706 |
| Rmeas | 0.111 | 1.834 |
| Rpim | 0.030 | 0.649 |
| Number of reflections | 17660 | 863 |
| <I/σ(I)> | 13.13 | 0.49 |
| Completeness [%] | 85.9 | 42.1 |
| Redundancy | 12.5 | 7.4 |
| CC(1/2) | 0.999 | 0.456 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 1.5 mM peptide, 0.1 M Calcium chloride dihydrate 50 mM Sodium acetate, and 10 % w/v PEG 6000, at pH 5.0 |
