5NN6
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.872600 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.633, 102.191, 128.348 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.520 - 2.000 |
R-factor | 0.15413 |
Rwork | 0.153 |
R-free | 0.18376 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5nn3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.520 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.134 | 0.602 |
Rpim | 0.091 | 0.421 |
Number of reflections | 85909 | 4524 |
<I/σ(I)> | 8.4 | 2.3 |
Completeness [%] | 99.5 | 100 |
Redundancy | 4.5 | 4.2 |
CC(1/2) | 0.992 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.9 M ammonium sulphate, 0.1 M HEPES pH 7.0, 2% v/v PEG400 |