5M6O
Frutapin complexed with alpha-D-mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.96859 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 73.956, 73.956, 185.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.050 - 1.700 |
| R-factor | 0.1436 |
| Rwork | 0.141 |
| R-free | 0.19083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5krp |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.477 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 185.240 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.133 | 0.907 |
| Number of reflections | 65624 | |
| <I/σ(I)> | 8.8 | 2.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.992 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 277 | 0.04 M Potassium phosphate monobasic, 16% PEG 8000, |
