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 |