5M3T
Structural tuning of CD81LEL (space group P64)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 64 |
| Unit cell lengths | 101.300, 101.300, 35.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.650 - 2.021 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.828 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.650 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.030 | 0.396 |
| Number of reflections | 12501 | |
| <I/σ(I)> | 29.1 | 2.3 |
| Completeness [%] | 88.3 | 53.4 |
| Redundancy | 4.6 | 1.9 |
| CC(1/2) | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294.15 | Protein: 10 mg/ml Buffer: 0.1 MMT pH 5, 25% w/v PEG 1500 grown in presence of fexofenadine although not visible in the electron density map |
