5A6B
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with PUGNAc
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 | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.699, 136.937, 201.446 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.690 - 1.770 |
| R-factor | 0.16596 |
| Rwork | 0.164 |
| R-free | 0.20266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.828 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.660 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.040 | 0.330 |
| Number of reflections | 248507 | |
| <I/σ(I)> | 28.2 | 3.9 |
| Completeness [%] | 99.6 | 93.2 |
| Redundancy | 7.8 | 4.8 |
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 |
