3ECQ
Endo-alpha-N-acetylgalactosaminidase from Streptococcus pneumoniae: SeMet structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 210.611, 158.209, 112.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 112.509 - 2.900 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23500 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.225 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.17) |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.509 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.110 | 0.592 |
| Total number of observations | 74051 | |
| Number of reflections | 83445 | |
| <I/σ(I)> | 6.13 | 2.4 |
| Completeness [%] | 99.4 | 97.4 |
| Redundancy | 6.8 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 29% (w/v) PEG MME 2000, 0.2 M lithium citrate, 0.1 M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
