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 |
