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 |