3RWK
First crystal structure of an endo-inulinase, from Aspergillus ficuum: structural analysis and comparison with other GH32 enzymes.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-27 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9797 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.760, 95.760, 130.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 9.990 - 2.100 |
R-factor | 0.18506 |
Rwork | 0.183 |
R-free | 0.23213 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.998 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.080 | 2.080 |
Number of reflections | 40640 | |
Completeness [%] | 96.7 | 92.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Tris.HCl pH8, 1.7M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |