7CNN
vinorelbine in complex with tubulin
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 | 2018-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.878, 156.129, 183.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.957 - 2.500 |
R-factor | 0.1993 |
Rwork | 0.199 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i55 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.498 | 6.780 | 2.500 |
Rmerge | 0.179 | 0.051 | 1.056 |
Rmeas | 0.186 | 0.054 | 1.109 |
Rpim | 0.051 | 0.015 | 0.333 |
Number of reflections | 104536 | 5565 | 5158 |
<I/σ(I)> | 3.3 | ||
Completeness [%] | 99.9 | 99.7 | 99.7 |
Redundancy | 13 | 12.4 | 10.5 |
CC(1/2) | 0.999 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |