2FNT
Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2003-06-27 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.056, 57.623, 61.475 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.880 - 1.440 |
R-factor | 0.18829 |
Rwork | 0.187 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3r |
RMSD bond length | 0.007 |
RMSD bond angle | 1.320 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.440 |
Rmerge | 0.047 |
Number of reflections | 33155 |
<I/σ(I)> | 10.4 |
Completeness [%] | 100.0 |
Redundancy | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 126mM Sodium phosphate pH 6.2; 63mM sodium citrate; ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |