4G0V
Human topoisomerase iibeta in complex with DNA and mitoxantrone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.546, 176.610, 93.759 |
| Unit cell angles | 90.00, 111.53, 90.00 |
Refinement procedure
| Resolution | 27.941 - 2.548 |
| R-factor | 0.1631 |
| Rwork | 0.161 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qx3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.122 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.6.4_486) |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.548 | 2.550 |
| Rmerge | 0.490 | |
| Number of reflections | 78830 | |
| <I/σ(I)> | 12.1 | 2.5 |
| Completeness [%] | 99.4 | 97.3 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | 100mM magnesium acetate, 50mM 2-(N-morpholino)ethanesulfonic acid pH 5.8, 22% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
