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 |
