6RRU
GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.959, 91.908, 131.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.510 - 1.900 |
R-factor | 0.1946 |
Rwork | 0.192 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bub |
RMSD bond length | 0.008 |
RMSD bond angle | 1.540 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.910 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 85812 | 4507 |
<I/σ(I)> | 10.2 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium succinate, pH 7.4 10 % PEG 3350 with microseeding |