5KGX
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2015-10-14 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.541 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.109, 72.109, 65.713 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.080 - 2.670 |
Rwork | 0.191 |
R-free | 0.24360 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.080 | 2.765 |
High resolution limit [Å] | 2.670 | 2.670 |
Rmerge | 0.407 | |
Number of reflections | 5895 | |
<I/σ(I)> | 26.22 | 4.63 |
Completeness [%] | 95.8 | 99 |
Redundancy | 4.2 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 8%PEG 8K .1M Ammonium Sulfate .1M Na-cacodylate 5mM DTT |