8WLB
X-ray structure of Enterobacter cloacae allose-binding protein in complex with D-psicose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 67.110, 113.140, 38.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.290 - 1.710 |
| R-factor | 0.17125 |
| Rwork | 0.167 |
| R-free | 0.24208 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rpj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.290 | 1.750 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Number of reflections | 32299 | 2172 |
| <I/σ(I)> | 27.6 | |
| Completeness [%] | 98.1 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 20 mM D-psicose, 100 mM sodium citrate tribasic dihydrate, 22% (w/v) polyethylene glycol 1,000 |
