9B98
Crystal structure of the human PAD2 protein bound to small molecule
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-13 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 201.710, 52.780, 76.590 |
| Unit cell angles | 90.00, 105.71, 90.00 |
Refinement procedure
| Resolution | 97.088 - 2.003 |
| Rwork | 0.186 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.510 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.088 | 2.276 |
| High resolution limit [Å] | 2.003 | 2.003 |
| Rmerge | 0.038 | 0.759 |
| Rmeas | 0.045 | 0.903 |
| Rpim | 0.025 | 0.483 |
| Number of reflections | 26935 | 1347 |
| <I/σ(I)> | 16.3 | 1.7 |
| Completeness [%] | 92.2 | 75.5 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.1M Magnesium acetate, 50mM MES pH5.5, 9-16% 2-methyl 2, 4-pentane diol |
