7LEC
HIV-1 Protease WT (NL4-3) in Complex with PU3 (LR3-69)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-03 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.361, 58.591, 61.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.711 - 1.940 |
R-factor | 0.2016 |
Rwork | 0.199 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.720 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.067 | 0.397 |
Number of reflections | 14216 | 686 |
<I/σ(I)> | 25.3 | 4.7 |
Completeness [%] | 99.0 | 97.6 |
Redundancy | 7 | 6.5 |
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 |