6FR3
003 TCR Study of CDR Loop Flexibility
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | .92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.060, 81.380, 64.790 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 50.690 - 1.350 |
| R-factor | 0.16662 |
| Rwork | 0.165 |
| R-free | 0.19744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eh4 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.341 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.690 | 1.385 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.048 | 0.496 |
| Rmeas | 0.056 | 0.587 |
| Number of reflections | 95658 | 6641 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 97.8 | 92.5 |
| Redundancy | 3.8 | 3.5 |
| CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | Pact Premier solution A04: 0.1 M SPG Buffer, pH 7.0, 25% PEG w/v 1500 |
