5AC4
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.550, 99.050, 133.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 133.450 - 2.080 |
| R-factor | 0.16325 |
| Rwork | 0.161 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.334 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.540 | 2.190 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 74999 | |
| <I/σ(I)> | 20.1 | 6.2 |
| Completeness [%] | 98.2 | 96 |
| Redundancy | 11.1 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10.2 | 12% (W/V) PEG 3350, 0.2 M MAGNESIUM CHLORIDE, 0.05 M CAPS, PH 10.2, 1% GLYCEROL |
