4D4I
Understanding bi-specificity of A-domains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.425, 82.686, 90.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.940 - 2.000 |
| R-factor | 0.19262 |
| Rwork | 0.190 |
| R-free | 0.24501 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1amu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.548 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.150 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.520 |
| Number of reflections | 35245 | |
| <I/σ(I)> | 21.7 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 24-30% POLYETHYLENE GLYCOL 3350, 0.1 M MES OR BIS-TRIS PH 5.5 - 6.5 |
