6MK3
Crystallographic solvent mapping analysis of DMSO bound to APE1
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 | CCD |
| Collection date | 2009-08-06 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 46.583, 137.789, 45.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.818 - 1.478 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.510 |
| High resolution limit [Å] | 1.478 | 4.020 | 1.480 |
| Rmerge | 0.060 | 0.040 | 0.410 |
| Number of reflections | 48453 | 2394 | 2365 |
| <I/σ(I)> | 14 | ||
| Completeness [%] | 97.6 | 88 | 97.2 |
| Redundancy | 4.9 | 3.5 | 3.6 |
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 |
