5CBA
3B4 in complex with CXCL13 - 3B4-CXCL13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2013-10-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.350, 55.680, 112.770 |
| Unit cell angles | 90.00, 120.56, 90.00 |
Refinement procedure
| Resolution | 48.700 - 2.500 |
| R-factor | 0.1994 |
| Rwork | 0.197 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3B4 and 3GV3/2R3Z/4HSV/3IL8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 2.511 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 | 0.670 |
| Number of reflections | 22217 | |
| <I/σ(I)> | 12.3 | 1.9 |
| Completeness [%] | 99.6 | 87 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 100 mM Tris pH 8, 100 mM NaCl, 8 % PEG 20000 |
