5A69
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-PUGNAc
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 | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.780, 95.580, 131.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.200 |
| R-factor | 0.23498 |
| Rwork | 0.232 |
| R-free | 0.28592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.526 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 27418 | |
| <I/σ(I)> | 11 | 2.8 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 6.4 | 6.4 |
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 |
