7SVN
DPP9 IN COMPLEX WITH LIGAND ICeD-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.789, 117.439, 163.455 |
| Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
| Resolution | 157.520 - 2.780 |
| R-factor | 0.2675 |
| Rwork | 0.267 |
| R-free | 0.34890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eoq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 157.520 | 3.030 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.155 | 0.593 |
| Number of reflections | 103766 | 23973 |
| <I/σ(I)> | 1.92 | |
| Completeness [%] | 94.4 | 96.4 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 10% PEG 8000 25% glycerol 0.16 M calcium acetate 0.08 M cacodilate pH 6.25 |
