5GON
Structures of a beta-lactam bridged analogue 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 | CCD |
Collection date | 2015-06-17 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97845 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.507, 156.463, 181.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.600 - 2.480 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.563 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.600 | 2.570 |
High resolution limit [Å] | 2.480 | 2.480 |
Number of reflections | 98970 | |
<I/σ(I)> | 22 | |
Completeness [%] | 92.9 | |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |