5M2C
Structural tuning of CD81LEL (space group P32 1 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 49.879, 49.879, 132.439 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.067 - 1.961 |
| R-factor | 0.2055 |
| Rwork | 0.204 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.918 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.100 | 2.020 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.923 | |
| Number of reflections | 13921 | |
| <I/σ(I)> | 50.4 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.6 |
| CC(1/2) | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294.15 | 29% EtOH, 0.092 M Citrate pH 2.2, 0.113 M Na2HPO4 pH 9.3, (pH ~5) 39% PEG 300 |
