4E91
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
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 32 2 1 |
Unit cell lengths | 65.783, 65.783, 143.323 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.606 - 1.700 |
R-factor | 0.2208 |
Rwork | 0.220 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.020 |
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] | 57.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.063 | 0.370 |
Number of reflections | 39464 | |
<I/σ(I)> | 14.7 | |
Completeness [%] | 97.7 | 99.5 |
Redundancy | 8.4 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 284 | 0.7M Na/K tartrate, 0.1M bis-tris pH7.0, 0.2M NaI, 16% glyerol, VAPOR DIFFUSION, HANGING DROP, temperature 284K |