6ION
The complex of C4.4A with its antibody 11H10 Fab fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.860, 63.960, 107.710 |
Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
Resolution | 40.144 - 2.750 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cle 3bt2 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.895 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.144 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.113 | 0.841 |
Number of reflections | 18267 | 1809 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 98.9 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG3350, 0.2M Potassium sodium tartrate tetrahydrate, 0.1M Tris-HCl pH 7 |