5JXK
Crystal structure of Porphyromonas endodontalis DPP11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-31 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.752, 91.831, 229.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.697 - 2.850 |
R-factor | 0.2417 |
Rwork | 0.240 |
R-free | 0.27340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.741 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 114.959 | 46.697 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.056 | 1.118 | |
Rmeas | 0.245 | 0.061 | 1.213 |
Rpim | 0.094 | 0.024 | 0.468 |
Total number of observations | 257565 | 8873 | 36813 |
Number of reflections | 38861 | ||
<I/σ(I)> | 7.5 | 26.2 | 1.7 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 6.6 | 6.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl pH 7.5, 15 % PEG 6000 |