4INB
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.950, 89.210, 39.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.419 - 1.800 |
Rwork | 0.231 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.066 |
RMSD bond angle | 1.220 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.059 | 0.402 |
Number of reflections | 11287 | |
<I/σ(I)> | 33.94 | 3.82 |
Completeness [%] | 97.0 | 90.2 |
Redundancy | 8.58 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 284 | 0.8M NaK tartarate, 0.1M Na Hepes 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 284K |