4DMN
HIV-1 Integrase Catalytical Core Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-02-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.514 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.082, 73.082, 64.808 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.440 - 2.450 |
R-factor | 0.233 |
Rwork | 0.231 |
R-free | 0.27630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.793 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
Rmerge | 0.044 | 0.024 | 0.563 |
Number of reflections | 7538 | ||
<I/σ(I)> | 28.3 | ||
Completeness [%] | 98.5 | 91.2 | 100 |
Redundancy | 6.9 | 6 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.5 | 10% PEG 8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulfate, Vapor Diffusion, hanging drop, temperature 277.5K |