6BRY
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
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 | 2017-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.089, 157.766, 181.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.748 - 2.700 |
R-factor | 0.1935 |
Rwork | 0.191 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2947) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.760 |
High resolution limit [Å] | 2.700 | 6.650 | 2.700 |
Rmerge | 0.136 | 0.072 | 0.911 |
Rmeas | 0.146 | 0.078 | 0.980 |
Rpim | 0.053 | 0.030 | 0.358 |
Total number of observations | 629072 | ||
Number of reflections | 83924 | 5934 | 5513 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.5 | 7.1 | 7.3 |
CC(1/2) | 0.990 | 0.712 |
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 |