6MKK
Crystallographic solvent mapping analysis of DMSO/Mg 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 | 2010-06-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00587 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 46.697, 141.487, 45.334 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.201 - 1.442 |
R-factor | 0.1842 |
Rwork | 0.183 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.460 |
High resolution limit [Å] | 1.440 | 3.910 | 1.440 |
Rmerge | 0.047 | 0.027 | 0.340 |
Number of reflections | 54787 | 2869 | 2065 |
<I/σ(I)> | 14.8 | ||
Completeness [%] | 98.4 | 94.4 | 74.3 |
Redundancy | 4.7 | 4.3 | 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 |