5AC5
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GlcNAc
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 | 87.740, 98.090, 132.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.920 - 1.840 |
| R-factor | 0.17134 |
| Rwork | 0.170 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.145 |
| 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] | 46.600 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 100651 | |
| <I/σ(I)> | 18 | 6.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 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 |
