5MQS
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 | 126.433, 318.194, 90.579 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.290 - 3.000 |
| R-factor | 0.21004 |
| Rwork | 0.207 |
| R-free | 0.26173 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BT_1020 native |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 3.130 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.312 | 1.316 |
| Number of reflections | 37085 | |
| <I/σ(I)> | 6.1 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.6 |
| CC(1/2) | 0.966 | 0.632 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 15% (v/v) ethylene glycol, 15% (w/v) PEG 8000, 20 mM D-glucose, 20 mM D-mannose, 20 mM D- galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine, 300 mM L-arabinose, 44.5 mM imidazole, 55.5 mM MES pH 6.5 |
