4G0U
Human topoisomerase IIbeta in complex with DNA and amsacrine
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 | 2011-03-23 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.923, 175.800, 93.130 |
| Unit cell angles | 90.00, 113.61, 90.00 |
Refinement procedure
| Resolution | 28.231 - 2.700 |
| R-factor | 0.1591 |
| Rwork | 0.156 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qx3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.192 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.467 | |
| Number of reflections | 63644 | |
| <I/σ(I)> | 10.4 | 2.6 |
| Completeness [%] | 97.4 | 98.8 |
| Redundancy | 3 | 3.1 |
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 |
