4DKP
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Detector technology | IMAGE PLATE |
Collection date | 2011-01-01 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.666, 68.483, 94.747 |
Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
Resolution | 33.705 - 1.798 |
R-factor | 0.2002 |
Rwork | 0.199 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tgt |
RMSD bond length | 0.002 |
RMSD bond angle | 0.699 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.798 | 1.798 |
Rmerge | 0.049 | 0.509 |
Number of reflections | 74276 | |
<I/σ(I)> | 17.44 | 1.18 |
Completeness [%] | 97.0 | 72.9 |
Redundancy | 3.3 | 1.9 |
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 |