7Y4G
sit-bound btDPP4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.298, 110.991, 134.392 |
| Unit cell angles | 90.00, 91.17, 90.00 |
Refinement procedure
| Resolution | 44.790 - 1.970 |
| R-factor | 0.2238 |
| Rwork | 0.223 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r9n |
| RMSD bond length | 0.030 |
| RMSD bond angle | 3.515 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.760 | 1.890 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.064 | 0.556 |
| Number of reflections | 143666 | 3243 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 92.7 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M MES pH6.0, 14% PEG 4,000 |
