5JOP
Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2014-08-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.267, 74.740, 120.304 |
| Unit cell angles | 90.00, 100.55, 90.00 |
Refinement procedure
| Resolution | 47.184 - 1.750 |
| R-factor | 0.1671 |
| Rwork | 0.165 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qgc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.367 |
| Data reduction software | HKL-2000 (v706e) |
| Data scaling software | HKL-2000 (v706e) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((1.10_2155: 000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.190 | 1.769 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.639 | |
| Number of reflections | 106772 | |
| <I/σ(I)> | 11.4 | 1.4 |
| Completeness [%] | 97.0 | 98.3 |
| Redundancy | 2.7 | 2.7 |
| CC(1/2) | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.8 M NaHPO4/1.2 M K2HPO4, 0.1M sodium acetate (pH 4.5), and 5% Jeffamine 900 |
