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 |