6R4Y
Crystal structure of holo PPEP-1(E143A/Y178F) in complex with product peptide Ac-EVNP-CO2 (substrate peptide: Ac-EVNPAVP-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 | 2016-12-16 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.036, 42.800, 118.274 |
Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
Resolution | 40.240 - 1.452 |
R-factor | 0.1457 |
Rwork | 0.145 |
R-free | 0.16520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.007 |
RMSD bond angle | 0.896 |
Data reduction software | XDS (20160617) |
Data scaling software | XDS (20160617) |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.15rc1_3420: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.240 | 1.504 |
High resolution limit [Å] | 1.452 | 1.452 |
Number of reflections | 64508 | |
<I/σ(I)> | 16.62 | |
Completeness [%] | 98.2 | |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.5 microl 12 mg per ml rPPEP-1 E143A Y178F with 6 mM substrate peptide (Ac-EVNPAVP-CONH2) in 20 mM Tris pH 7.5, 200 mM NaCl, 0.1 mM ZnCl2 was mixed with 1.5 microl precipitant solution containing: 100 mM Tris pH 8.5, 2.1 M ammonium phosphate dibasic. Reservoir volume: 200 microl |