4LP0
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 | 2007-05-29 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.875, 94.333, 62.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.670 - 1.950 |
| R-factor | 0.16816 |
| Rwork | 0.166 |
| R-free | 0.20197 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.670 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.270 | 62.270 | 2.060 |
| High resolution limit [Å] | 1.955 | 6.180 | 1.950 |
| Rmerge | 0.038 | 0.386 | |
| Number of reflections | 15850 | ||
| <I/σ(I)> | 16.3 | 15.3 | 2 |
| Completeness [%] | 99.8 | 95.8 | 100 |
| Redundancy | 7.1 | 6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 18-25% Peg4000, 0.2M Ammonium Acetate, 0.1M MIB pH 7, inhibitor soak, temperature 293K, VAPOR DIFFUSION, HANGING DROP |
