6R54
Crystal structure of PPEP-1(E184A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-04-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.210, 71.940, 118.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.436 - 1.417 |
R-factor | 0.1577 |
Rwork | 0.157 |
R-free | 0.17260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a0p |
RMSD bond length | 0.007 |
RMSD bond angle | 0.993 |
Data reduction software | XDS (Oct 15, 2015) |
Data scaling software | XDS (Oct 15, 2015) |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_3395: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.440 | 1.468 |
High resolution limit [Å] | 1.417 | 1.417 |
Number of reflections | 68916 | 5354 |
<I/σ(I)> | 13.66 | |
Completeness [%] | 97.4 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.5 microl 12 mg per ml rPPEP-1 E184A in 20 mM Tris pH 7.5, 200 mM NaCl was mixed with 1.5 microl precipitant solution containing: 100 mM Tris pH 8.5, 1.8 M ammonium phosphate dibasic. Reservior volume: 200 microl |