4X8C
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.500, 60.420, 113.310 |
| Unit cell angles | 90.00, 123.13, 90.00 |
Refinement procedure
| Resolution | 19.836 - 3.100 |
| R-factor | 0.1973 |
| Rwork | 0.195 |
| R-free | 0.24340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3apn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.519 |
| Data scaling software | XDS |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.840 |
| High resolution limit [Å] | 3.100 |
| Number of reflections | 14431 |
| <I/σ(I)> | 10.5 |
| Completeness [%] | 95.0 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 293 | 100 mM imidazole, pH 7.8, 200 mM Li2SO4, 2 mM TCEP, 6-7.5% PEG 2K MME |
