6W0U
HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-01-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 46.029, 46.029, 139.457 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.710 - 2.190 |
R-factor | 0.21671 |
Rwork | 0.211 |
R-free | 0.26956 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.014 |
RMSD bond angle | 2.087 |
Data reduction software | Aimless |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.710 | 2.260 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.053 | 0.292 |
Rmeas | 0.059 | 0.341 |
Rpim | 0.026 | 0.171 |
Number of reflections | 8268 | 622 |
<I/σ(I)> | 27.6 | 5.5 |
Completeness [%] | 97.2 | |
Redundancy | 4.5 | |
CC(1/2) | 0.999 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.2 M ammonium sulfate, 100 mM potassium iodide |