1R49
Human topoisomerase I (Topo70) double mutant K532R/Y723F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.944, 118.638, 71.651 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 47.670 - 3.100 * |
| R-factor | 0.28009 |
| Rwork | 0.277 |
| R-free | 0.33900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.763 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.260 |
| High resolution limit [Å] | 3.100 * | 3.130 |
| Rmerge | 0.140 * | 0.280 * |
| Number of reflections | 15497 * | |
| Completeness [%] | 93.8 | 64.7 |
| Redundancy | 3.2 * | 1.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | PEG 3350 MME, Magnesium chloride, MES, TCEP, pH 7.5, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 3350 | ||
| 2 | 1 | 1 | MME | ||
| 3 | 1 | 1 | Magnesium chloride | ||
| 4 | 1 | 1 | MES | ||
| 5 | 1 | 1 | TCEP | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | PEG 3350 | ||
| 8 | 1 | 2 | Magnesium chloride | ||
| 9 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 48 (M) | |
| 2 | 1 | drop | PEG3350 MME | 15 (%) | |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | MES | 100 (mM) | pH7.5 |
| 5 | 1 | drop | TCEP | 2 (mM) | |
| 6 | 1 | reservoir | ethylene gylcol | 15 (%) |
