6GMP
CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF TBPAR42
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.970919 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 28.640, 69.960, 102.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.460 - 1.350 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PIN1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.135 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.500 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.021 | 0.417 |
Number of reflections | 22021 | |
<I/σ(I)> | 32.73 | 1.68 |
Completeness [%] | 94.8 | 67.5 |
Redundancy | 5.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293.15 | 23 % PEG 4000, 100 MM NAACETATE |