1WDA
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with benzoyl-L-arginine amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.133, 60.045, 115.406 |
| Unit cell angles | 90.00, 124.23, 90.00 |
Refinement procedure
| Resolution | 42.520 - 2.300 |
| R-factor | 0.2148 |
| Rwork | 0.210 |
| R-free | 0.25211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.593 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.520 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.217 |
| Number of reflections | 36718 | |
| <I/σ(I)> | 10.3 | 2.1 |
| Completeness [%] | 97.9 | 93.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEGMME2000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
