6MKM
Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-25 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.07109 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 46.552, 136.601, 45.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.626 - 1.673 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.934 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
| Rmerge | 0.077 | 0.053 | 0.384 |
| Total number of observations | 138760 | ||
| Number of reflections | 32466 | 1819 | 1307 |
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 95.3 | 96.3 | 79.4 |
| Redundancy | 4.3 | 4.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, pH 6.0, 200 mM sodium chloride, 18-21% PEG4000 |
