2B9S
Crystal Structure of heterodimeric L. donovani topoisomerase I-vanadate-DNA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.433, 106.102, 126.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.480 - 2.270 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.597 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.350 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.073 | 0.408 |
| Number of reflections | 43803 | |
| Completeness [%] | 95.9 | 73 |
| Redundancy | 3.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.1 | 298 | 18% PEG 3350, 0.2 M Na2HPO4, 0.1 M LiCl, pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 3350 | ||
| 2 | 1 | 1 | Na2HPO4 | ||
| 3 | 1 | 1 | LiCl | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 3350 | ||
| 6 | 1 | 2 | Na2HPO4 | ||
| 7 | 1 | 2 | LiCl |
