4HPH
The crystal structure of isomaltulose synthase mutant E295Q from Erwinia rhapontici NX5 in complex with its natural substrate sucrose
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) | 1.0442 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.553, 81.091, 138.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.980 - 1.700 |
| R-factor | 0.16337 |
| Rwork | 0.161 |
| R-free | 0.19984 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4how |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.167 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.112 | 0.572 |
| Number of reflections | 434369 | |
| <I/σ(I)> | 13.021 | 3.663 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 30% PEG 6000, 0.1M Bicine, 10% Glycerol, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
