6RS0
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.984, 91.437, 132.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.250 - 1.800 |
R-factor | 0.1955 |
Rwork | 0.193 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bub |
RMSD bond length | 0.008 |
RMSD bond angle | 1.524 |
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] | 75.250 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 100041 | 4864 |
<I/σ(I)> | 12.4 | 1.2 |
Completeness [%] | 99.5 | 98.8 |
Redundancy | 8.2 | 8.4 |
CC(1/2) | 0.997 | 0.737 |
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 |