8P4Z
Crystal structure of the human CDK7 kinase domain in complex with LDC4297
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 188.170, 188.170, 188.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.750 |
R-factor | 0.226 |
Rwork | 0.225 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | XDS (10-JAN-2022) |
Data scaling software | Aimless (0.7.9 (10-JUN-2022)) |
Phasing software | PHASER (2.8.3 (20-AUG-2021)) |
Refinement software | BUSTER (2.11.8 (22-FEB-2023)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.950 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.167 | 4.909 |
Rmeas | 0.169 | 4.970 |
Rpim | 0.027 | 0.773 |
Number of reflections | 30114 | 4330 |
<I/σ(I)> | 21.7 | 1.1 |
Completeness [%] | 99.7 | 100 |
Redundancy | 40 | 41 |
CC(1/2) | 1.000 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M ammonium acetate, 0.1 M sodium citrate, 12% w/v PEG 3350, 0.2 M NDSB-201 |