1K9F
Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with aldotetraouronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2000-10-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.039 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.558, 73.558, 330.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.550 - 1.750 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21100 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | 1k9d |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.349 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.069 | 0.354 |
| Total number of observations | 664504 * | |
| Number of reflections | 85011 | |
| <I/σ(I)> | 12.2 | 5 |
| Completeness [%] | 91.6 | 58.4 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 20 * | 0.1M Na-citrate pH 5.0, 14% PEG 4000, 12% Iso-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 14 (%(w/v)) | |
| 3 | 1 | reservoir | isopropyl alcohol | 12 (%(v/v)) | |
| 4 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.0-5.5 |
