7RJ2
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2020-10-17 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 6 |
Unit cell lengths | 92.183, 92.183, 57.965 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.920 - 2.320 |
R-factor | 0.2011 |
Rwork | 0.199 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vkv |
RMSD bond length | 0.006 |
RMSD bond angle | 0.924 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.910 | 2.400 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmerge | 0.048 | 0.265 |
Number of reflections | 12256 | 2373 |
<I/σ(I)> | 16.5 | 3 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.425M NaI, 6% peg 3350, 6% glycerol, 0.1M sodium cacodylate trihydrate pH 6.5 |