1ZPA
HIV Protease with Scripps AB-3 Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.542 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 63.100, 63.100, 81.480 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.020 |
Rwork | 0.197 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | |
RMSD bond length | 0.006 |
RMSD bond angle | 0.022 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.108 | 0.902 |
Number of reflections | 6669 | |
<I/σ(I)> | 19.6 | 1.47 |
Completeness [%] | 98.3 | 83.5 |
Redundancy | 9.46 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 1.34 M Ammonium Sulfate, 0.1 M Na Acetate, pH 4.8-5.4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |