6ZFQ
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with bis-tris
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97718 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.812, 106.994, 43.884 |
Unit cell angles | 90.00, 110.31, 90.00 |
Refinement procedure
Resolution | 38.410 - 1.200 |
Rwork | 0.141 |
R-free | 0.18120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zfn |
RMSD bond length | 0.013 |
RMSD bond angle | 1.820 |
Data reduction software | DIALS (1.10.2-g9c23cb36c-release) |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.410 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.049 | 0.695 |
Rmeas | 0.057 | 0.854 |
Rpim | 0.028 | 0.485 |
Number of reflections | 114498 | 5426 |
<I/σ(I)> | 10.6 | 1.5 |
Completeness [%] | 99.4 | 94.7 |
Redundancy | 3.8 | 2.8 |
CC(1/2) | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 100 mM bis-tris pH 5.5, 25% w/v PEG 3350. Protein at 10 mg/ml in 25 mM HEPES pH 7.0, 200 mM NaCl buffer with 2.23 mM GlcIFG and 2.23 mM alpha-1,2-mannobiose (10 x molar ratio). 300 nl droplet (150 nl protein solution, 150 nl reservoir solution). The ligand additives are probably not required for crystallization. |