5DG0
Human APE1 phosphorothioate substrate complex with Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-09 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.365, 60.601, 73.316 |
| Unit cell angles | 83.12, 80.68, 89.04 |
Refinement procedure
| Resolution | 23.950 - 1.800 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iem |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.399 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.825 |
| High resolution limit [Å] | 1.799 | 1.800 |
| Rmerge | 0.069 | 0.560 |
| Number of reflections | 69308 | |
| <I/σ(I)> | 18 | 2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 10% Peg 20000, 100 mM sodium citrate, 200 mM MgCl2 |
