4U7V
Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 |
Unit cell lengths | 62.607, 62.607, 82.052 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 1.380 |
R-factor | 0.2103 |
Rwork | 0.208 |
R-free | 0.24740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ndx |
RMSD bond length | 0.027 |
RMSD bond angle | 2.518 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.720 | 1.460 | |
High resolution limit [Å] | 1.380 | 4.120 | 1.380 |
Rmerge | 0.043 | 0.027 | 0.670 |
Rmeas | 0.049 | 0.031 | 0.757 |
Total number of observations | 167708 | ||
Number of reflections | 35441 | 1431 | 4447 |
<I/σ(I)> | 17.79 | 46.94 | 2.15 |
Completeness [%] | 94.5 | 99.4 | 73.6 |
Redundancy | 4.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 200mM LiCl, 20% PEG 1000 |