7JVX
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2017-11-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | I 4 |
Unit cell lengths | 113.390, 113.390, 57.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 3.200 |
R-factor | 0.2472 |
Rwork | 0.244 |
R-free | 0.29650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d5r |
RMSD bond length | 0.010 |
RMSD bond angle | 1.738 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.800 | 19.800 | 3.200 |
High resolution limit [Å] | 2.900 | 10.000 | 2.900 |
Rmerge | 0.212 | 0.101 | 0.579 |
Rmeas | 0.252 | 0.118 | 0.796 |
Total number of observations | 20136 | ||
Number of reflections | 7482 | 178 | 1632 |
<I/σ(I)> | 3.19 | 8.32 | 0.81 |
Completeness [%] | 90.3 | 81.7 | 78.3 |
Redundancy | 2.691 | 3.393 | 1.466 |
CC(1/2) | 0.973 | 0.983 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 300 mM citrate |