6OZW
Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from Streptococcus mutans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.581, 98.366, 72.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.183 - 2.063 |
| R-factor | 0.2038 |
| Rwork | 0.200 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.915 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.100 |
| High resolution limit [Å] | 2.060 | 5.590 | 2.060 |
| Rmerge | 0.077 | 0.037 | 0.944 |
| Rmeas | 0.084 | 0.041 | 1.047 |
| Rpim | 0.032 | 0.016 | 0.441 |
| Total number of observations | 254919 | ||
| Number of reflections | 39033 | 2181 | 1655 |
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 97.6 | 100 | 83.3 |
| Redundancy | 6.5 | 6.4 | 5.1 |
| CC(1/2) | 0.998 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 4.6 mg mL-1 in a 3uL:3uL 1:1 ratio protein to condition, crystallization condition 0.2 M magnesium formate dihydrate, 25% w/v PEG 3350 at 277.15 K |
