4OBD
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.474, 59.545, 59.362 |
Unit cell angles | 90.00, 98.60, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.19905 |
Rwork | 0.196 |
R-free | 0.24797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.534 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.680 |
Number of reflections | 39171 |
<I/σ(I)> | 16.85 |
Completeness [%] | 98.8 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 24% PEG 5000, 0.3M ammonium sulfate, 0.5M MES monohydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |