5NN5
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 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 | 97.486, 102.972, 129.028 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.860 - 2.000 |
R-factor | 0.18509 |
Rwork | 0.183 |
R-free | 0.21809 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5nn3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.366 |
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] | 53.860 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.169 | 0.549 |
Rpim | 0.125 | 0.426 |
Number of reflections | 83609 | 4552 |
<I/σ(I)> | 6.2 | 2 |
Completeness [%] | 95.3 | 95.5 |
Redundancy | 3.1 | 3 |
CC(1/2) | 0.965 | 0.675 |
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 |