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 |