7R51
Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp
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 | 2020-01-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 193.428, 72.908, 119.368 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 119.304 - 1.808 |
| R-factor | 0.2086 |
| Rwork | 0.206 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jwf |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.304 | 1.990 |
| High resolution limit [Å] | 1.808 | 1.810 |
| Rmerge | 0.084 | 0.563 |
| Rmeas | 0.100 | |
| Rpim | 0.053 | 0.398 |
| Number of reflections | 80793 | 4041 |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 93.1 | 67.61 |
| Redundancy | 3.4 | 2.63 |
| CC(1/2) | 0.998 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | JCSG+ Well G6: 0.2 M Sodium malonate dibasic monohydrate, 20% PEG3350 |
