4HOZ
The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-21 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.737, 82.480, 137.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.150 - 2.000 |
| R-factor | 0.15481 |
| Rwork | 0.152 |
| R-free | 0.20511 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4how |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.884 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.491 |
| Number of reflections | 299859 | |
| <I/σ(I)> | 18.624 | 2.788 |
| Completeness [%] | 99.1 | 98 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 29% PEG 8000, 0.1M Sodium cacodylate, 0.2M Ammonium sulfate, 10% Glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
