6B9P
Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.92019 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.274, 119.761, 277.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.258 - 1.996 |
R-factor | 0.1804 |
Rwork | 0.178 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o7d |
RMSD bond length | 0.009 |
RMSD bond angle | 0.997 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.260 | 2.120 |
High resolution limit [Å] | 1.996 | 1.996 |
Rmeas | 0.167 | |
Number of reflections | 291174 | 45423 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.0 | 95.5 |
Redundancy | 7.03 | 7.03 |
CC(1/2) | 0.788 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2M Potassium Sodium tartrate, 10% PEG 1500 |