5C8Y
Crystal structure of T2R-TTL-Plinabulin complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.060, 158.444, 181.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.695 - 2.594 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.27090 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.634 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.594 |
Number of reflections | 93390 |
<I/σ(I)> | 11.6 |
Completeness [%] | 99.8 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |