6JCJ
Structure of crolibulin 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 | 2018-01-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.544, 157.329, 184.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.420 - 2.500 |
| R-factor | 0.24283 |
| Rwork | 0.241 |
| R-free | 0.28185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i55 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.441 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.086 | 0.800 |
| Number of reflections | 108297 | |
| <I/σ(I)> | 20.6 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 6% POLYETHYLENE GLYCOL 4000, 8% GLYCEROL, 0.1 M MES, 30 MM CACL2, 30 MM MGCL2, PH 6.7 |
