7T9H
HIV Integrase in complex with Compound-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-16 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 49.885, 49.885, 226.385 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.340 - 2.530 |
| R-factor | 0.2305 |
| Rwork | 0.228 |
| R-free | 0.27320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ncj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (17-DEC-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.069 | 0.356 |
| Number of reflections | 11604 | 1119 |
| <I/σ(I)> | 20.6 | 3.9 |
| Completeness [%] | 98.6 | 96.2 |
| Redundancy | 5.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 4.6%(w/v) PEG 3350, 261 mM ammonium acetate, 0.81% glycerol(v/v), 91 mM magnesium chloride and 100 mM MES pH 6.0 |
