5HP5
Srtucture of human peptidylarginine deiminase type I (PAD1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 90.815, 90.815, 373.049 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.726 - 3.198 |
| R-factor | 0.2163 |
| Rwork | 0.213 |
| R-free | 0.27820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wda |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.363 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.200 |
| Number of reflections | 28698 |
| <I/σ(I)> | 20.8 |
| Completeness [%] | 99.8 |
| Redundancy | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 50 mM citric acid, 0.2 M CaCl2, 15%(w/v) PEG3350, 14%(v/v) glycerol |
