6VX2
HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 46.288, 46.288, 140.096 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.950 - 2.400 |
R-factor | 0.22577 |
Rwork | 0.216 |
R-free | 0.29490 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.957 |
Data reduction software | Aimless |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.160 | 2.470 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.078 | 0.425 |
Rmeas | 0.084 | 0.454 |
Rpim | 0.030 | 0.158 |
Number of reflections | 6539 | 666 |
<I/σ(I)> | 16.9 | 4.7 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 7.9 | 7.9 |
CC(1/2) | 0.997 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.2 M ammonium sulfate, 100 mM potassium iodide |