5A6K
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-NGT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.690, 99.420, 133.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.670 - 2.100 |
| R-factor | 0.17501 |
| Rwork | 0.173 |
| R-free | 0.22393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.329 |
| 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] | 95.690 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.240 |
| Number of reflections | 69114 | |
| <I/σ(I)> | 11.1 | 6 |
| Completeness [%] | 92.9 | 84.5 |
| Redundancy | 6.4 | 5.9 |
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 |
