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 |