3SCS
Crystal Structure of Rice BGlu1 E386S Mutant Complexed with alpha-Glucosyl Fluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2009-08-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.128, 100.860, 127.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.300 - 1.850 |
| R-factor | 0.17533 |
| Rwork | 0.174 |
| R-free | 0.20453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rgl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.382 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.5.0110) |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 87779 | |
| <I/σ(I)> | 16.2 | 4.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 288 | 20% PEG MME 5000, 0.22M ammonium sulfate, 0.1M MES, 0.010M alpha-glucosyl fluoride, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 288.0K |
