4BBW
The crystal structure of Sialidase VPI 5482 (BTSA) from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-06-17 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.377, 94.023, 50.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.610 - 2.300 |
| R-factor | 0.2109 |
| Rwork | 0.208 |
| R-free | 0.25920 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.316 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.280 | 0.500 |
| Number of reflections | 52341 | |
| <I/σ(I)> | 12.5 | 1.72 |
| Completeness [%] | 91.1 | 68.1 |
| Redundancy | 3.48 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 1.6M NAH2PO4,0.4M K2HPO4, PHOSPHATE-CITRATE 100MM PH4.2 |
