7KPR
Structure of wild-type PPM1H phosphatase at 3.1 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-22 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.684, 102.160, 148.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.780 - 3.090 |
R-factor | 0.1969 |
Rwork | 0.196 |
R-free | 0.22030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b67 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.780 | 3.200 |
High resolution limit [Å] | 3.090 | 3.090 |
Rmerge | 0.070 | 0.770 |
Rmeas | 0.076 | 0.840 |
Number of reflections | 19927 | 1853 |
<I/σ(I)> | 19.83 | 2.34 |
Completeness [%] | 99.3 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 290 | 10% isopropanol, 5% PEG4000, 0.05M MgCl2 |