7TTE
Tubulin-RB3_SLD in complex with compound 12j
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.062, 127.425, 251.622 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.120 - 2.700 |
R-factor | 0.1738 |
Rwork | 0.171 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xes |
RMSD bond length | 0.008 |
RMSD bond angle | 0.942 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.125 | 1.399 |
Rmeas | 0.127 | |
Rpim | 0.025 | 0.282 |
Number of reflections | 56674 | 3831 |
<I/σ(I)> | 32.6 | |
Completeness [%] | 95.5 | 91.5 |
Redundancy | 24.3 | 20 |
CC(1/2) | 0.994 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 293 | 0.2M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.6, 14 % PEG 4K |