6R5A
Crystal structure of PPEP-1(W103F)
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 21 21 21 |
Unit cell lengths | 42.579, 66.161, 118.399 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.117 - 1.480 |
R-factor | 0.1663 |
Rwork | 0.165 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.005 |
RMSD bond angle | 0.719 |
Data reduction software | XDS (20160617) |
Data scaling software | XDS (20160617) |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3409: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.120 | 1.533 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmeas | 0.819 | |
Number of reflections | 56407 | 5477 |
<I/σ(I)> | 14.14 | |
Completeness [%] | 99.5 | |
Redundancy | 8.5 | |
CC(1/2) | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 4 microl 12 mg per ml rPPEP-1 W103F in 20 mM Tris pH 8.5, 200 mM NaCl was mixed with 1 microl precipitant solution containing: 100 mM Tris pH 8.5, 2.1 M ammonium phosphate dibasic. Reservoir volume: 200 microl |