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 |