1ZPK
Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-04-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.934 |
Spacegroup name | P 61 |
Unit cell lengths | 62.483, 62.483, 82.412 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.650 |
R-factor | 0.1586 |
Rwork | 0.156 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a9m |
RMSD bond length | 0.007 |
RMSD bond angle | 0.026 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.039 | 0.370 |
Number of reflections | 21955 | |
<I/σ(I)> | 48.4 | 2.3 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microseeding | 4.4 | 298 | 0.5 M NaCl, 0.1 M Na Citrate, 10% Glycerol, pH 4.4, microseeding, temperature 298K |