6R58
Crystal structure of PPEP-1(E143A/Y178F/E184A) in complex with substrate peptide Ac-EVNAPVP-CONH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-10-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.995, 73.322, 237.348 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.125 - 1.900 |
R-factor | 0.1905 |
Rwork | 0.190 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.003 |
RMSD bond angle | 0.620 |
Data reduction software | XDS (20161205) |
Data scaling software | XDS (20161205) |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3409: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.125 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 60403 | |
<I/σ(I)> | 15.64 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1 microl 12 mg per ml rPPEP-1 E143A Y178F E184A with 6 mM substrate peptide in 20 mM Tris pH 7.5, 200 mM NaCl was mixed with 2 microl precipitant solution containing: 100 mM Tris pH 9.0, 2 M ammonium phosphate dibasic. Reservoir volume: 200 microl |