1Q74
The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.794, 73.964, 85.587 |
| Unit cell angles | 102.09, 108.16, 97.18 |
Refinement procedure
| Resolution | 40.000 * - 1.700 |
| R-factor | 0.19608 |
| Rwork | 0.194 |
| R-free | 0.22800 * |
| Structure solution method | SIRAS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.899 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 1.780 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.296 |
| Total number of observations | 1281662 * | |
| Number of reflections | 134270 * | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 96.3 | 94.7 * |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 298 | 15% PEG4000, 50mM Tris-HCl, 0.1M Mg(NO3)2, 6% 1,6-hexanediol and 10% ethyleneglycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 15 (%) | |
| 2 | 1 | reservoir | Tris-HCl | 50 (mM) | pH8.0 |
| 3 | 1 | reservoir | 0.1 (M) | ||
| 4 | 1 | reservoir | 1,6-hexanediol | 6 (%) | |
| 5 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 6 | 1 | drop | protein | 6 (mg/ml) |
