8CI7
Apo-crystal structure of a wild-type South African HIV-1 subtype C protease at 2.4 angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER IMUS 3.0 MICROFOCUS |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-26 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 46.600, 46.600, 102.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.390 - 2.400 |
R-factor | 0.2059 |
Rwork | 0.203 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.563 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.390 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.138 | |
Rmeas | 0.175 | |
Rpim | 0.106 | |
Number of reflections | 4659 | 433 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 97.2 | |
Redundancy | 4.5 | |
CC(1/2) | 0.991 | 0.462 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 5 mg/mL of wild-type South African HIV-1 subtype C protease in 10 mM of sodium acetate at pH 5 with the crystallization condition consisting of 0.1 M of bis-Tris at pH 6.5 and 3.0 M of NaCl |