6ZDK
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES and hexatungstotellurate(VI) TEW
This is a non-PDB format compatible entry.
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 | 2018-01-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 62 |
Unit cell lengths | 128.968, 128.968, 48.791 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.480 - 2.000 |
Rwork | 0.196 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zdf |
RMSD bond length | 0.015 |
RMSD bond angle | 1.963 |
Data reduction software | DIALS (1.8.3-g908a951f-release) |
Data scaling software | Aimless (0.6.1) |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.480 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.126 | 0.739 |
Rmeas | 0.149 | 0.869 |
Rpim | 0.078 | 0.450 |
Number of reflections | 31607 | 2282 |
<I/σ(I)> | 6.2 | 1.5 |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.992 | 0.411 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 100 mM HEPES pH 7.5, 200 mM MgCl2, 30% v/v PEG 400 (Alfa Aesar), 1 mM Anderson-Evans polyoxotungstate TEW. Protein at 10 mg/ml in 25 mM HEPES pH 7.0, 200 mM NaCl buffer. |