5MQR
Sialidase BT_1020
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 125.720, 316.998, 90.023 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.250 - 2.200 |
| R-factor | 0.16585 |
| Rwork | 0.164 |
| R-free | 0.19510 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.250 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.145 | 0.998 |
| Number of reflections | 90935 | |
| <I/σ(I)> | 9.5 | 1.4 |
| Completeness [%] | 99.3 | 97.3 |
| Redundancy | 6.6 | 4.9 |
| CC(1/2) | 0.993 | 0.495 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 14% (v/v) ethylene glycol, 14% (w/v) PEG 8000, 30 mM of each di-, tri, tetra- and penta-ethylene glycol, 50 mM hepes and 50 mM MOPS pH 7.5 |
