2O40
Crystal Structure of a Chemically Synthesized 203 Amino Acid 'Covalent Dimer' HIV-1 Protease Molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-08-22 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97932 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.326, 58.306, 61.699 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.650 |
R-factor | 0.19335 |
Rwork | 0.191 |
R-free | 0.23748 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.599 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (VRSION 8.1) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.694 |
High resolution limit [Å] | 1.650 | 1.651 |
Rmerge | 0.072 | 0.749 |
Number of reflections | 22342 | |
<I/σ(I)> | 14.6 | 2.67 |
Completeness [%] | 98.3 | 88.68 |
Redundancy | 4.8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M citrate, 0.2M sodium phophate, 30% (w/v) ammonium sulfate, 10% (v/v) DMSO, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |