4LSQ
Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 with LOOP D and Loop V5 from clade A strain 3415_v1_c1
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 | 2011-11-18 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.514, 67.621, 221.088 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.380 - 2.250 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.863 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.116 | 0.522 |
Number of reflections | 47596 | |
<I/σ(I)> | 7.6 | |
Completeness [%] | 98.6 | 87.9 |
Redundancy | 5.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 293 | 0.1M Tris, 8.25% PEG 8000, 0.02 M CdCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |