2DW5
Crystal structure of human peptidylarginine deiminase 4 in complex with N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.259, 60.516, 114.911 |
| Unit cell angles | 90.00, 124.19, 90.00 |
Refinement procedure
| Resolution | 42.700 - 2.300 |
| R-factor | 0.20048 |
| Rwork | 0.198 |
| R-free | 0.25204 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wda |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.700 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 32324 | |
| Completeness [%] | 85.0 | 47.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 10% PEGMME2000, 0.1M Imidazole PH 8.0, 0.2M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
