4HP5
The crystal structure of isomaltulose synthase mutant E295A 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 | 58.849, 81.325, 138.258 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.810 - 2.000 |
R-factor | 0.157 |
Rwork | 0.154 |
R-free | 0.20770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4how |
RMSD bond length | 0.020 |
RMSD bond angle | 1.944 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.054 |
Number of reflections | 252919 |
<I/σ(I)> | 26.712 |
Completeness [%] | 98.9 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 30% PEG 4000, 0.1M Tri-sodium citrate, 0.2M Ammonium acetate, 10% Glycerol, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |