6R51
Crystal structure of apo PPEP-1(E143A/Y178F) in complex with fibrinogen-derived substrate peptide Ac-SLRPAPP-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 | 2015-10-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.189, 75.069, 140.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.489 - 1.940 |
R-factor | 0.1554 |
Rwork | 0.154 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.004 |
RMSD bond angle | 0.838 |
Data reduction software | XDS (25-Oct-2015) |
Data scaling software | XDS (25-Oct-2015) |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.15_3448: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.489 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 56159 | 5517 |
<I/σ(I)> | 15.9 | |
Completeness [%] | 99.0 | |
Redundancy | 4.4 |
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 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 8.5, 2.1 M ammonium phosphate dibasic. Reservoir volume: 200 microl |