3APN
Crystal structure of the human wild-type PAD4 protein
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 | 2010-06-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.254, 61.064, 113.569 |
| Unit cell angles | 90.00, 123.74, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.700 |
| R-factor | 0.247 |
| Rwork | 0.246 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wd8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.542 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.21) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Number of reflections | 22962 | ||
| <I/σ(I)> | 13.9 | 49.6 | 2.3 |
| Completeness [%] | 99.7 | 94.8 | 100 |
| Redundancy | 3.8 | 3.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | imidazole, lithium sulfate, PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
