8UJM
Crystal structure of human CTDNEP1-NEP1R1 protein phosphatase complex with magnesium
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 | 2023-09-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.405, 102.953, 57.244 |
Unit cell angles | 90.00, 118.20, 90.00 |
Refinement procedure
Resolution | 50.450 - 2.161 |
R-factor | 0.1978 |
Rwork | 0.197 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.524 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.450 | 2.238 |
High resolution limit [Å] | 2.161 | 2.161 |
Rmerge | 0.092 | 0.721 |
Rmeas | 0.130 | 1.020 |
Rpim | 0.092 | 0.721 |
Number of reflections | 30755 | 3010 |
<I/σ(I)> | 5.67 | 1.13 |
Completeness [%] | 99.5 | 98.56 |
Redundancy | 2 | 2 |
CC(1/2) | 0.992 | 0.385 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 6% PEG 3350, 0.2 M lithium citrate, 0.4% CHAPS |