1G2K
HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 278 |
Detector technology | CCD |
Collection date | 1999-09-20 |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.508, 86.832, 46.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 1.950 |
R-factor | 0.2 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ajx |
RMSD bond length | 0.006 |
RMSD bond angle | 1.270 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.056 | |
Number of reflections | 17947 | |
<I/σ(I)> | 5.36 | |
Completeness [%] | 81.7 | 83.7 |
Redundancy | 5.8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 50 mM MES, 0.4 M NaCl, pH 5.5, VAPOR DIFFUSION, HANGING DROP at 277K |