4XQB
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.440, 70.320, 74.480 |
| Unit cell angles | 90.00, 94.47, 90.00 |
Refinement procedure
| Resolution | 45.541 - 1.597 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.17840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uxe |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.227 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.597 | 1.597 |
| Rmerge | 0.066 | 0.656 |
| Number of reflections | 83280 | |
| <I/σ(I)> | 14.9 | 2 |
| Completeness [%] | 99.4 | 97.2 |
| Redundancy | 3.73 | 3.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 28% PEG 8000, 0.1M HEPES, 0.05M zinc acetate |
