8VCP
Crystal structure of dimeric rMcL-1 in complex with raffinose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 101 |
| Detector technology | PIXEL |
| Collection date | 2016-11-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.879, 40.948, 65.839 |
| Unit cell angles | 90.00, 106.50, 90.00 |
Refinement procedure
| Resolution | 36.460 - 1.580 |
| R-factor | 0.1555 |
| Rwork | 0.154 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.422 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.460 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.094 | |
| Rmeas | 0.098 | |
| Rpim | 0.029 | |
| Number of reflections | 39833 | 2462 |
| <I/σ(I)> | 53.7 | 4.7 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 8.4 | 3.8 |
| CC(1/2) | 0.900 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 0.1 M HEPES, 50 mM sodium acetate, 23% PEG 4000 |
