4S1Q
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, in complex with clade A/E HIV-1 gp120 core
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 | 2013-02-15 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.179, 78.925, 194.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.355 - 2.400 |
R-factor | 0.2211 |
Rwork | 0.219 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3se8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.956 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.094 | 0.470 |
Number of reflections | 39180 | |
<I/σ(I)> | 12.4 | 1.63 |
Completeness [%] | 96.3 | 80.4 |
Redundancy | 3.7 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 10% PEG 8000, 0.1M Tris-HCl 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |