2R5D
Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7
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 | 2007-04-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.541 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.438, 56.345, 53.424 |
Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
Resolution | 38.630 - 1.660 |
R-factor | 0.204 |
Rwork | 0.201 |
R-free | 0.24900 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.160 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.720 |
High resolution limit [Å] | 1.660 | 3.580 | 1.660 |
Rmerge | 0.046 | 0.031 | 0.315 |
Number of reflections | 23406 | ||
<I/σ(I)> | 21.6 | ||
Completeness [%] | 94.3 | 97.5 | 62.1 |
Redundancy | 2.3 | 2.5 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 0.1M HEPES, 24% PEG 10000, pH 7.5, vapor diffusion, temperature 298K |