5TQZ
Frutapin complexed with alpha-D-glucose
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 | 74.023, 74.023, 185.522 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.110 - 1.600 |
| R-factor | 0.15118 |
| Rwork | 0.149 |
| R-free | 0.19180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5krp |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.903 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 185.520 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.205 | 0.202 |
| Number of reflections | 78721 | |
| <I/σ(I)> | 9.3 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.3 | 19.5 |
| CC(1/2) | 0.995 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 277 | 0.04 M Potassium monobasic phosphate, 20% PEG 8000 |
