7YZ3
Molecular snapshots of drug release from tubulin: Apo state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESA |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESA |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2020-09-04 |
Detector | PSI JUNGFRAU 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.710, 92.710, 84.090 |
Unit cell angles | 90.00, 96.40, 90.00 |
Refinement procedure
Resolution | 9.490 - 1.800 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nqt |
Data reduction software | CrystFEL (0.9.1) |
Data scaling software | CrystFEL (0.9.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 11.090 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 104994 | 10494 |
<I/σ(I)> | 4.59 | 0.32 |
Completeness [%] | 100.0 | |
Redundancy | 429.5 | |
CC(1/2) | 0.981 | 0.140 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Ammonium sulfate, 0.1M Bis/Tris-methane pH=5.5, 21% PEG 3000 (m/v) |