6R5B
Crystal structure of PPEP-1(W103H/E143A/Y178F) in complex with substrate peptide Ac-EVNPPVP-CONH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.358, 43.008, 123.214 |
Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
Resolution | 40.847 - 2.060 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.002 |
RMSD bond angle | 0.551 |
Data reduction software | XDS (20180126) |
Data scaling software | XDS (20180126) |
Phasing software | PHENIX (20180126) |
Refinement software | PHENIX ((dev_3395: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.847 | 2.134 |
High resolution limit [Å] | 2.060 | 2.060 |
Number of reflections | 24292 | |
<I/σ(I)> | 5.04 | |
Completeness [%] | 99.4 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.5 microl 12 mg per ml rPPEP-1 W103H E143A Y178F with 6 mM substrate peptide in 20 mM Tris pH 7.5, 200 mM NaCl was mixed with 1.5 microl precipitant solution containing: 100 mM Tris pH 7.5, 2.1 M ammonium phosphate dibasic. Reservoir volume: 200 microl |