6RRY
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-1,2,3,6-tetrahydro-3-pyridinol
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 | 2019-03-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.473, 90.366, 132.772 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.310 - 1.860 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bub |
RMSD bond length | 0.009 |
RMSD bond angle | 1.543 |
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] | 90.370 | 1.890 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 91011 | 4451 |
<I/σ(I)> | 12.4 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | |
CC(1/2) | 0.996 | 0.705 |
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 |