6BOT
Human APE1 substrate complex with an C/C 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 | 2016-07-05 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 44.247, 60.944, 73.292 |
Unit cell angles | 83.18, 78.48, 87.21 |
Refinement procedure
Resolution | 48.910 - 2.300 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dff |
RMSD bond length | 0.005 |
RMSD bond angle | 0.988 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.320 |
Rmerge | 0.082 | 0.573 |
Number of reflections | 62321 | |
<I/σ(I)> | 10.9 | |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 4.4 | 3 |
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 |