4E1M
Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor
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 | 2011-08-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.794, 71.794, 65.329 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.071 - 1.900 |
R-factor | 0.2417 |
Rwork | 0.238 |
R-free | 0.27260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1itg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.015 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.058 | 0.547 |
Number of reflections | 15556 | |
<I/σ(I)> | 12.1 | 2 |
Completeness [%] | 95.6 | 96.2 |
Redundancy | 1.8 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 8% PEG 8000, 100mM NaCacodylate, 200mM ammonium sulfate, 5mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |