7L4I
Crystal structure of a substrate-trapping variant of PPM1H phosphatase
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] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979279 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.688, 101.105, 148.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.970 - 2.580 |
R-factor | 0.1921 |
Rwork | 0.190 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b67 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.970 | 2.700 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.093 | 0.651 |
Rmeas | 0.101 | 0.707 |
Rpim | 0.039 | 0.272 |
Total number of observations | 224906 | |
Number of reflections | 34086 | 3998 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.5 | 96.9 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.998 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 30% PEG 1500 |