7B4V
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 X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-13 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.630, 69.340, 69.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.235 - 1.400 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
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] | 49.235 | 49.235 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.163 | 0.050 | 2.186 |
Rmeas | 0.170 | 0.052 | 2.278 |
Total number of observations | 627203 | ||
Number of reflections | 49189 | 632 | 3585 |
<I/σ(I)> | 9.77 | 37.2 | 1.39 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 12.751 | 12.236 | 12.69 |
CC(1/2) | 0.998 | 0.999 | 0.447 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277.15 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH8.5, 30% w/v Polyethylene glycol 4,000 |