4DKV
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.333, 68.773, 93.848 |
Unit cell angles | 90.00, 91.74, 90.00 |
Refinement procedure
Resolution | 27.602 - 2.185 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tgt |
RMSD bond length | 0.008 |
RMSD bond angle | 0.965 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.185 | 2.185 |
Rmerge | 0.063 | 0.518 |
Number of reflections | 39043 | |
<I/σ(I)> | 13.6 | 1.32 |
Completeness [%] | 92.1 | 50.6 |
Redundancy | 3.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% PEG 8000, 5% iso-propanol, 0.1M HEPES 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |