8F3B
HIV-1 gp41 coiled-coil pocket IQN22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.359, 38.217, 151.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.480 - 2.000 |
R-factor | 0.2339 |
Rwork | 0.232 |
R-free | 0.26590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8f3a |
RMSD bond length | 0.007 |
RMSD bond angle | 0.828 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.050 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.064 | 0.064 |
Number of reflections | 11287 | 1108 |
<I/σ(I)> | 26.4 | |
Completeness [%] | 90.8 | |
Redundancy | 20 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M di-ammonium phosphate and 40 % MPD |