8VCQ
Crystal structure of the oligomeric 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 | 2017-01-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.520, 77.934, 156.285 |
| Unit cell angles | 90.00, 89.89, 90.00 |
Refinement procedure
| Resolution | 49.340 - 2.090 |
| R-factor | 0.2168 |
| Rwork | 0.202 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.032 |
| 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] | 49.340 | 2.110 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.136 | |
| Rmeas | 0.148 | |
| Rpim | 0.048 | |
| Number of reflections | 159786 | 3759 |
| <I/σ(I)> | 29.2 | 2.3 |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 7.8 | 5.5 |
| CC(1/2) | 0.804 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 18% PEG 4000, 50 mM sodium acetate, 0.1 M HEPES, 0.1 M lithium sulfate |
