7B4U
Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.120, 69.290, 75.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.291 - 1.450 |
R-factor | 0.1471 |
Rwork | 0.146 |
R-free | 0.17290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.008 |
RMSD bond angle | 0.952 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.291 | 42.291 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.045 | 0.023 | 0.426 |
Rmeas | 0.047 | 0.024 | 0.448 |
Total number of observations | 576452 | ||
Number of reflections | 47687 | 631 | 3370 |
<I/σ(I)> | 29.6 | 83.99 | 5.5 |
Completeness [%] | 98.9 | 99.1 | 95.6 |
Redundancy | 12.088 | 11.777 | 10.437 |
CC(1/2) | 1.000 | 1.000 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277.15 | 0.2M Ca Acetate, 0.1M Na Cacodylate pH 6.5, 25% PEG 2K MME |