6BOU
Human APE1 substrate complex with an T/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 | 2016-06-12 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 44.303, 60.909, 73.314 |
Unit cell angles | 83.35, 78.50, 87.34 |
Refinement procedure
Resolution | 24.539 - 2.538 |
R-factor | 0.213 |
Rwork | 0.208 |
R-free | 0.26770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dff |
RMSD bond length | 0.006 |
RMSD bond angle | 0.976 |
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 | 2.590 |
High resolution limit [Å] | 2.538 | 6.880 | 2.550 |
Rmerge | 0.106 | 0.041 | 0.494 |
Rmeas | 0.130 | 0.050 | 0.613 |
Rpim | 0.074 | 0.029 | 0.358 |
Number of reflections | 43274 | 1216 | 1221 |
<I/σ(I)> | 7.8 | ||
Completeness [%] | 99.8 | 100 | 99.8 |
Redundancy | 2.9 | 2.6 | 2.7 |
CC(1/2) | 0.996 | 0.800 |
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 |