3IXO
Crystal Structure of uncomplexed HIV_1 Protease Subtype A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 |
Unit cell lengths | 62.207, 62.207, 82.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.800 - 1.700 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aqu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.800 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.089 | |
Number of reflections | 18760 | |
<I/σ(I)> | 12.3 | 2.2 |
Completeness [%] | 94.1 | 99.2 |
Redundancy | 4.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.0 M NaCl, 30 mM citrate, mixed 1:1 with protein, then mix 0.25 part Anapoe 58 detergent., pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |