6H3H
Fab fragment of antibody against fullerene C60
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-27 |
| Detector | RAYONIX SX-165mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.330, 138.180, 83.530 |
| Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
| Resolution | 28.830 - 1.920 |
| R-factor | 0.19051 |
| Rwork | 0.188 |
| R-free | 0.23354 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mfb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.911 |
| Data reduction software | XDS (v2014) |
| Data scaling software | XSCALE (v2014) |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.830 | 2.020 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmeas | 0.084 | 0.569 |
| Number of reflections | 69665 | 10963 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 5 | 4.8 |
| CC(1/2) | 0.999 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25 % w/v PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Bis-Tris, pH 6.5 |
