1JAK
Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG)
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 | 2000-11-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 132.767, 132.767, 177.024 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 * - 1.750 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.19200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hp4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.340 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 * | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.043 | 0.150 |
| Total number of observations | 1013193 * | |
| Number of reflections | 92286 * | 4366 * |
| <I/σ(I)> | 36.2 | 10.9 |
| Completeness [%] | 99.6 | 95.7 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 298 | Ammonium sulphate, Tri-sodium citrate, Sodium Chloride, glycerol, 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 | tri-sodium citrate | 50 (mM) | pH5.0 |
| 2 | 1 | drop | 300 (mM) | ||
| 3 | 1 | drop | protein | 10 (mg/ml) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
| 5 | 1 | reservoir | tri-sodium citrate | 100 (mM) | pH6.0 |
| 6 | 1 | reservoir | glycerol | 20 (%) |
