3M7D
Crystal structure of an N-terminal 44 kDA fragment of topoisomerase V in the presence of dioxane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 78 |
Detector technology | CCD |
Collection date | 2005-10-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.96500 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.150, 47.740, 81.223 |
Unit cell angles | 90.00, 112.48, 90.00 |
Refinement procedure
Resolution | 28.056 - 1.815 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | N-terminal 31 kDa topoisomerase domain of Topo-61 (2CSB) structure |
RMSD bond length | 0.006 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.050 | 1.910 |
High resolution limit [Å] | 1.815 | 1.815 |
Rmerge | 0.046 | 0.194 |
Number of reflections | 32998 | |
<I/σ(I)> | 23 | 6.8 |
Completeness [%] | 98.3 | 88.6 |
Redundancy | 4.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 303 | 0.1M phospate citrate pH 5, 0.2 M NaCl, 15% PEG 3350, 8% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 303K |