3TGS
Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-08-07 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.960, 126.000, 191.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.837 - 2.700 |
R-factor | 0.2422 |
Rwork | 0.239 |
R-free | 0.29540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.699 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.116 | 0.066 | 0.222 |
Number of reflections | 17560 | ||
<I/σ(I)> | 26.2 | ||
Completeness [%] | 74.0 | 98.9 | 26.3 |
Redundancy | 5.2 | 5.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 16% PEG 1500, 0.1M CaCl2, 0.1M imidazole, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5 |