5F89
Structure of the Unliganded Fab from HIV-1 Neutralising Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface
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 | CCD |
Collection date | 2014-06-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 43.002, 68.280, 85.731 |
Unit cell angles | 95.59, 99.82, 102.54 |
Refinement procedure
Resolution | 41.822 - 2.784 |
R-factor | 0.2309 |
Rwork | 0.228 |
R-free | 0.27860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.812 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.780 | 7.590 | 2.780 |
Rmerge | 0.108 | 0.036 | 0.400 |
Rmeas | 0.153 | 0.051 | 0.565 |
Rpim | 0.108 | 0.036 | 0.400 |
Total number of observations | 38175 | ||
Number of reflections | 20522 | ||
<I/σ(I)> | 6.4 | 1.44 | |
Completeness [%] | 88.9 | 97.7 | 57.9 |
Redundancy | 1.9 | 1.9 | 1.6 |
CC(1/2) | 0.994 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298.15 | 7.5% PEG4000 12.5% Isopropanol 0.1M Sodium Citrate pH5.6 Cryoprotectant: 30% Ethylene Glycol |