4E92
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 81.709, 81.709, 90.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.865 - 1.800 |
R-factor | 0.2225 |
Rwork | 0.220 |
R-free | 0.26360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.806 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.7_650) |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.048 | 0.510 |
Number of reflections | 28153 | |
<I/σ(I)> | 14.8 | |
Completeness [%] | 97.3 | 97.2 |
Redundancy | 15.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 284 | 0.5M Na/K tartrate, 0.2M NaI, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 284K |