6ZQS
Crystal structure of double-phosphorylated p38alpha with ATF2(83-102)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 39.401, 84.602, 122.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.620 - 1.950 |
R-factor | 0.1776 |
Rwork | 0.175 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tca |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.620 | 69.620 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.081 | 0.030 | 1.599 |
Rmeas | 0.085 | 0.031 | 1.744 |
Rpim | 0.024 | 0.009 | 0.664 |
Total number of observations | 380252 | ||
Number of reflections | 30463 | 397 | 1842 |
<I/σ(I)> | 17.8 | 61.5 | 1.1 |
Completeness [%] | 99.1 | 99.9 | 88.2 |
Redundancy | 12.5 | 10.3 | 6.2 |
CC(1/2) | 0.999 | 1.000 | 0.425 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 14% PEG 3350, 0.1 M cacodylate ph 6.5 |