2R8N
Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 46.711, 46.711, 100.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.500 - 1.200 |
R-factor | 0.141 |
Rwork | 0.141 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 0.030 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.076 | 0.273 |
Number of reflections | 33850 | |
<I/σ(I)> | 14 | 4.5 |
Completeness [%] | 99.3 | 95.7 |
Redundancy | 7.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 30 mM citric acid, 1 M NaCl, TritonX-100, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |