4EM7
Crystal structure of a topoisomerase ATP inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.866, 94.569, 60.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.830 - 1.900 |
| R-factor | 0.1879 |
| Rwork | 0.187 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.975 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.21) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.830 | 23.830 | 2.000 |
| High resolution limit [Å] | 1.716 | 6.010 | 1.900 |
| Rmerge | 0.100 | 0.049 | 0.476 |
| Total number of observations | 3732 | 18090 | |
| Number of reflections | 17156 | ||
| <I/σ(I)> | 15.3 | 12.3 | 1.5 |
| Completeness [%] | 99.9 | 97.4 | 100 |
| Redundancy | 7.3 | 6.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | inhibitor soak | 7 | 293 | 18-25% Peg4000, 0.2M Ammonium Acetate, 0.1M MIB pH 7, inhibitor soak, temperature 293K |
