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 |