8F3A
HIV-1 gp41 coiled-coil pocket IQN17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 45.857, 46.962, 136.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.440 - 1.200 |
R-factor | 0.1749 |
Rwork | 0.174 |
R-free | 0.18730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q7c |
RMSD bond length | 0.021 |
RMSD bond angle | 1.572 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (v1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.440 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.046 | 0.381 |
Number of reflections | 46268 | 4269 |
<I/σ(I)> | 25.1 | |
Completeness [%] | 98.8 | |
Redundancy | 20 | |
CC(1/2) | 0.999 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M imidazole (pH 8.0) and 35 % 2-methyl-2,4-pentanediol (MPD) |