7LED
HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-04 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.437, 58.504, 62.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.193 - 1.996 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.578 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.200 | 2.030 |
High resolution limit [Å] | 1.996 | 1.996 |
Rmerge | 0.068 | 0.303 |
Number of reflections | 12221 | 547 |
<I/σ(I)> | 20.8 | 3.8 |
Completeness [%] | 92.2 | 85.7 |
Redundancy | 4.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |