4RUL
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97913 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.613, 80.295, 97.475 |
| Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
| Resolution | 37.735 - 2.900 |
| R-factor | 0.2119 |
| Rwork | 0.209 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 3PWT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.617 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.064 | 0.676 |
| Number of reflections | 29533 | |
| <I/σ(I)> | 23.4 | 1.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297 | 0.125M ammonium sulfate, 0.1M MES, 1mM zinc sulfate, 19% PEG 5000 monomethyl ether, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
