4J93
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1
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 21 21 21 |
Unit cell lengths | 40.779, 42.494, 83.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.741 - 1.740 |
R-factor | 0.1969 |
Rwork | 0.193 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.789 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.800 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.047 | 0.445 |
Number of reflections | 15051 | |
<I/σ(I)> | 21 | |
Completeness [%] | 96.6 | 93.2 |
Redundancy | 8.2 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 284 | 22.5 % PEG8000, 0.1 M TAPS pH 9.0 and 0.1 M NaOAc, VAPOR DIFFUSION, SITTING DROP, temperature 284K |