1K9D
The 1.7 A crystal structure of alpha-D-glucuronidase, a family-67 glycoside hydrolase from Bacillus stearothermophilus T-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00933 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.570, 73.570, 329.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.900 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | initial and partial model based on 2.4A resolution data (unpublished) |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.351 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.382 |
| Total number of observations | 271828 * | |
| Number of reflections | 94808 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 93.5 * | 60.7 |
| Redundancy | 4 | 3 |
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 293K |
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 |
