7KE0
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor 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 | 2018-10-04 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54178 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.932, 71.932, 65.870 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.550 - 2.190 |
R-factor | 0.2522 |
Rwork | 0.250 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eb2 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.655 |
Data reduction software | HKL-3000 (1.10.1_2155) |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 2.280 |
High resolution limit [Å] | 2.187 | 2.187 |
Rmeas | 0.103 | |
Rpim | 0.034 | |
Number of reflections | 17510 | 1029 |
<I/σ(I)> | 22 | |
Completeness [%] | 99.7 | |
Redundancy | 8.8 | |
CC(1/2) | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M sodiuim cacodylate trihydrate, 0.1 M ammonium sulfate, 10% PEG8000 |