5UI1
Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.805, 80.708, 91.384 |
| Unit cell angles | 87.99, 87.10, 86.33 |
Refinement procedure
| Resolution | 91.220 - 1.960 |
| R-factor | 0.2129 |
| Rwork | 0.211 |
| R-free | 0.24565 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s95 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.187 |
| Data reduction software | XDS (VERSION November 11, 2013) |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.5.3) |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.220 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.161 | 0.481 |
| Rpim | 0.161 | 0.481 |
| Number of reflections | 81256 | 11741 |
| <I/σ(I)> | 5.6 | 1.8 |
| Completeness [%] | 97.5 | 96.2 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 20-26% MPD, 4-8% PEG5000MME, 1 mM Manganese chloride, 10 mM Tris |
