6BOR
Human APE1 substrate complex with an G/G mismatch adjacent the THF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.408, 60.204, 73.014 |
| Unit cell angles | 82.94, 80.29, 89.10 |
Refinement procedure
| Resolution | 24.811 - 1.840 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dff |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.448 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 5.010 | 1.850 |
| Rmerge | 0.083 | 0.054 | 0.505 |
| Rmeas | 0.094 | 0.059 | 0.661 |
| Rpim | 0.043 | 0.025 | 0.422 |
| Number of reflections | 115113 | 3183 | 3123 |
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 99.4 | 100 | 97 |
| Redundancy | 4.2 | 5.6 | 2.2 |
| CC(1/2) | 0.996 | 0.099 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 7% PEG 20K, 100mM sodium Citrate, 15% glycerol, 5mM CaCl2 |
