4FDJ
The molecular basis of mucopolysaccharidosis IV A, complex with GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.706, 155.835, 61.801 |
| Unit cell angles | 90.00, 113.43, 90.00 |
Refinement procedure
| Resolution | 45.310 - 2.810 |
| R-factor | 0.2089 |
| Rwork | 0.207 |
| R-free | 0.25090 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4fdi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.157 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.278 | |
| Number of reflections | 24690 | |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 96.4 | 83.7 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 10-15% PEG6000, 0.1 M citric acid, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
