7E4Y
Crystal structure of tubulin in complex with L-DM4-SMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.991, 156.034, 182.357 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.512 - 2.708 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.23940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tv8 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.686 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.115 | 0.056 | 0.792 |
Rmeas | 0.120 | 0.059 | 0.823 |
Rpim | 0.033 | 0.016 | 0.223 |
Total number of observations | 1071851 | ||
Number of reflections | 81337 | 8526 | 8048 |
<I/σ(I)> | 4.4 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 13.2 | 12.4 | 13.3 |
CC(1/2) | 0.999 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2, 30 mM MgCl2 |