6J5E
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N44)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979150 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.500, 39.860, 171.503 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.825 - 2.330 |
R-factor | 0.2359 |
Rwork | 0.233 |
R-free | 0.28590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5h0n |
RMSD bond length | 0.003 |
RMSD bond angle | 0.491 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.825 | 2.440 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.083 | 0.861 |
Rmeas | 0.099 | |
Number of reflections | 20721 | 3031 |
<I/σ(I)> | 10.16 | 1.53 |
Completeness [%] | 98.0 | 90.6 |
Redundancy | 3.19 | |
CC(1/2) | 0.997 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1M PH3.5 Citric acid, 16%(w/v) PEG8000 |