4JPW
Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant
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 | 2012-03-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.975, 65.987, 213.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.443 - 2.904 |
R-factor | 0.2092 |
Rwork | 0.206 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3se9 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.596 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.880 |
High resolution limit [Å] | 2.900 | 2.850 |
Rmerge | 0.080 | 0.440 |
Number of reflections | 19490 | |
<I/σ(I)> | 11 | 2 |
Completeness [%] | 97.8 | 86.3 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 10% PEG 4000, 0.5% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |