4G5Z
Crystal structure of the therapeutical antibody fragment of canakinumab in its unbound state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.216, 54.585, 94.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.830 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1PZ5 and 3BKJ |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.100 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.104 | |
| Number of reflections | 37442 | |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 75.0 | 99.4 |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | crystal grown in 11% w/v PEG 3350 and 0.14M Tris-HCL equilibrated against a reservoir solution of 24% w/v PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
