4PCW
Crystal Structure of the N-terminal Domain of Human Profilaggrin at 2.2 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.492, 85.285, 96.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.642 - 2.200 |
| R-factor | 0.1984 |
| Rwork | 0.196 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8a |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.719 |
| Data scaling software | HKL-2000 (705) |
| Phasing software | MOLREP (11.0.05) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.030 | 1.970 |
| High resolution limit [Å] | 1.943 | 1.940 |
| Rmerge | 0.125 | |
| Number of reflections | 16452 | |
| <I/σ(I)> | 8.79 | 0.37 |
| Completeness [%] | 92.9 | 80.4 |
| Redundancy | 4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298.15 | PEG 4000, calcium chloride |
