5NDX
The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 173.028, 173.028, 156.687 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 149.850 - 2.200 |
| R-factor | 0.15913 |
| Rwork | 0.159 |
| R-free | 0.17499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | See our manuscript for the template |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.908 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.061 | 0.640 |
| Rpim | 0.013 | 0.137 |
| Number of reflections | 70222 | |
| <I/σ(I)> | 38.9 | 5.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 22.2 | 22.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1 M succinic acid, 1% PEG 2000 MME and 100 mM HEPES pH 7 |
