7MA2
HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-27 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.960, 57.937, 62.161 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.576 - 1.869 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.600 | 1.900 |
High resolution limit [Å] | 1.869 | 1.870 |
Rmerge | 0.059 | 0.253 |
Number of reflections | 15285 | 1483 |
<I/σ(I)> | 29.1 | 5 |
Completeness [%] | 96.7 | 81.5 |
Redundancy | 6.3 | 4.3 |
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 |