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 |