8SHW
38B7 with hydroxy-proline peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-06-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.021, 91.784, 82.946 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 30.740 - 1.950 |
| R-factor | 0.1791 |
| Rwork | 0.178 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.589 |
| Data reduction software | XDS (20220820) |
| Data scaling software | pointless (1.12.12) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.050 | 0.650 |
| Number of reflections | 67997 | 6725 |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 97.6 | 96.6 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.999 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM NaCitrate pH 5.6, 20% Isopropyl alcohol, 20% PEG 4000, 10 mM CdCl2 |
