8T5A
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-16 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.847, 71.847, 66.025 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.280 - 1.930 |
R-factor | 0.2519 |
Rwork | 0.250 |
R-free | 0.27990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8s9q |
RMSD bond length | 0.016 |
RMSD bond angle | 1.094 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.280 | 2.003 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.081 | 0.305 |
Rmeas | 0.114 | 0.305 |
Rpim | 0.081 | 0.305 |
Number of reflections | 10546 | 39 |
<I/σ(I)> | 7.97 | 1.64 |
Completeness [%] | 69.8 | 2.63 |
Redundancy | 2 | |
CC(1/2) | 0.993 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M (NH4)2SO4, 0.1 M sodium cacodylate (pH = 6.5), 10% PEG 8000, 5 mM DTT |