5BN6
Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-11-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 75.926, 74.606, 119.042 |
| Unit cell angles | 90.00, 96.79, 90.00 |
Refinement procedure
| Resolution | 19.650 - 1.650 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.19650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wog |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS (0.3.11) |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.650 | 19.650 | 1.680 |
| High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
| Rmerge | 0.049 | 0.018 | 0.446 |
| Rpim | 0.039 | 0.014 | 0.395 |
| Total number of observations | 174200 | 1040 | 4489 |
| Number of reflections | 77162 | ||
| <I/σ(I)> | 13.7 | 44.7 | 1.9 |
| Completeness [%] | 97.3 | 85.2 | 75.6 |
| Redundancy | 2.3 | 2.4 | 1.5 |
| CC(1/2) | 0.998 | 0.999 | 0.736 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 10% PEG 20 000, v/v PEG MME 550, 0.1 M bicine/Trizma base pH 8.5 |
