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 |
