3T11
Dimeric inhibitor of HIV-1 protease.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 120 |
Detector technology | MAR345 |
Collection date | 2000-03-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 30.755, 49.221, 122.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.080 - 2.220 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u8g |
RMSD bond length | 0.019 |
RMSD bond angle | 1.684 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.370 | 2.270 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.510 | |
Number of reflections | 9704 | |
<I/σ(I)> | 9.1 | 1.1 |
Completeness [%] | 97.8 | 71 |
Redundancy | 5.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |