6LFW
Crystal structure of PCB4scFv(hN56D) in complex with PCB#126
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-22 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 |
| Unit cell lengths | 92.210, 92.210, 51.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.600 - 1.410 |
| R-factor | 0.1275 |
| Rwork | 0.126 |
| R-free | 0.15550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3esu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.982 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.600 | 1.450 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.063 | 0.318 |
| Number of reflections | 41510 | 2792 |
| <I/σ(I)> | 26.4 | |
| Completeness [%] | 99.3 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | CHES, 30% PEG 3000 |
