8D3S
HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-21 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5419 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.514, 72.514, 66.205 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.560 - 1.840 |
R-factor | 0.2467 |
Rwork | 0.244 |
R-free | 0.27360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nuj |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASES |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.560 | 1.921 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.078 | 1.328 |
Rmeas | 0.083 | |
Rpim | 0.028 | 0.690 |
Number of reflections | 17271 | 240 |
<I/σ(I)> | 14.77 | 0.74 |
Completeness [%] | 83.5 | 13.78 |
Redundancy | 8.8 | |
CC(1/2) | 0.999 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M ammonium sulfate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 10% PEG8000, 5 mM DTT |