3LZU
Crystal Structure of a Nelfinavir Resistant HIV-1 CRF01_AE Protease variant (N88S) in Complex with the Protease Inhibitor Darunavir.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90 |
Spacegroup name | P 61 |
Unit cell lengths | 61.878, 61.878, 82.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 53.610 - 1.760 |
R-factor | 0.198 |
Rwork | 0.196 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tsu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.610 | 50.000 | 1.820 |
High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
Rmerge | 0.041 | 0.027 | 0.401 |
<I/σ(I)> | 19.6 | ||
Completeness [%] | 97.4 | 96.1 | 79.4 |
Redundancy | 4.6 | 4.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 295K |