3QX3
Human topoisomerase IIbeta in complex with DNA and etoposide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-02 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.90000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.149, 176.801, 94.067 |
Unit cell angles | 90.00, 111.58, 90.00 |
Refinement procedure
Resolution | 29.543 - 2.162 |
R-factor | 0.1701 |
Rwork | 0.168 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l4k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.058 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.6.4_486) |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.200 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.472 | |
Number of reflections | 129411 | |
<I/σ(I)> | 16.9 | 2.1 |
Completeness [%] | 95.7 | 98.2 |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 0.1M magnesium acetate, 50mM 2-(N-morpholino)ethanesulfonic acid pH 5.8, 22% 2-methyl-2, 4-pentanediol (MPT), VAPOR DIFFUSION, HANGING DROP, temperature 277K |