1M01
Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-11-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 133.276, 133.276, 176.204 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.000 - 2.100 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.21600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1hp4 |
RMSD bond length | 0.005 |
RMSD bond angle | 23.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.038 * | 0.100 * |
Total number of observations | 747643 * | |
Number of reflections | 54264 | 2604 * |
<I/σ(I)> | 39.4 | 15.1 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 12 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | AMMONIUM SULFATE, TRI-SODIUM CITRATE, GLYCEROL, GlcNAc, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | trisodium citrate | 50 (mM) | |
2 | 1 | drop | 300 (mM) | ||
3 | 1 | drop | protein | 10 (mg/ml) | |
4 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
5 | 1 | reservoir | trisodium citrate | 100 (mM) | pH6.0 |
6 | 1 | reservoir | glycerol | 20 (%) |