7MA6
HIV-1 Protease (I84V) in Complex with UMass5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-11 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.114, 57.932, 62.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.888 - 1.995 |
R-factor | 0.1916 |
Rwork | 0.189 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.594 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.900 | 2.020 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.064 | 0.251 |
Number of reflections | 12203 | 1184 |
<I/σ(I)> | 21.9 | 5 |
Completeness [%] | 93.3 | 89.1 |
Redundancy | 4.3 | 3.5 |
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 |