5GWJ
Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.178, 176.990, 94.414 |
Unit cell angles | 90.00, 111.50, 90.00 |
Refinement procedure
Resolution | 29.677 - 2.566 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qx3 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.851 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.677 | 2.660 |
High resolution limit [Å] | 2.566 | 2.570 |
Number of reflections | 77673 | |
<I/σ(I)> | 15.7 | |
Completeness [%] | 99.9 | |
Redundancy | 3.7 | |
CC(1/2) | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Magnesium Acetate, 2-(N-morpholino)ethanesulfonic, 2-methyl-2,4-pentanediol |