1I7D
NONCOVALENT COMPLEX OF E.COLI DNA TOPOISOMERASE III WITH AN 8-BASE SINGLE-STRANDED DNA OLIGONUCLEOTIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9948 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.011, 60.831, 125.358 |
| Unit cell angles | 90.00, 90.73, 90.00 |
Refinement procedure
| Resolution | 29.630 - 2.050 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d6m |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.630 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.098 | 0.244 |
| Total number of observations | 296621 * | |
| Number of reflections | 55797 | |
| <I/σ(I)> | 5.5 | 2.7 |
| Completeness [%] | 96.2 | 96.9 |
| Redundancy | 5.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 22 * | 1.3M ammonium sulfate, 0.8M sodium chloride, 0.1M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | sodium chloride | ||
| 3 | 1 | 1 | sodium citrate |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 1.3 (M) | ||
| 2 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 3 | 1 | reservoir | 0.8 (M) | ||
| 4 | 1 | drop | protein | 4 (mg/ml) |
