6B1V
Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 130.440, 130.440, 229.754 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 113.430 - 2.840 |
| R-factor | 0.2351 |
| Rwork | 0.234 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b0j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.402 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.400 | 2.890 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.571 | |
| Rpim | 0.071 | |
| Number of reflections | 47557 | 4247 |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.7 | |
| CC(1/2) | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.65 | 291 | PEG 3350, citric acid, arginine |
