6BR1
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
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 | 2017-06-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.927, 157.613, 180.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.639 - 2.304 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.665 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 5.670 | 2.300 |
| Rmerge | 0.132 | 0.085 | 1.064 |
| Rmeas | 0.142 | 0.092 | 1.141 |
| Rpim | 0.052 | 0.034 | 0.410 |
| Total number of observations | 991151 | ||
| Number of reflections | 132488 | 9295 | 8713 |
| <I/σ(I)> | 4.6 | ||
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 7.5 | 7.1 | 7.5 |
| CC(1/2) | 0.993 | 0.657 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 6% PEG 4000, 5% Glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |
