6ZDL
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG 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 | 2018-02-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 62 |
Unit cell lengths | 127.864, 127.864, 48.809 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.970 - 1.900 |
Rwork | 0.193 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zdk |
RMSD bond length | 0.017 |
RMSD bond angle | 2.073 |
Data reduction software | DIALS (1.8.4-g04a6c08a-release) |
Data scaling software | Aimless (0.6.2) |
Phasing software | REFMAC (5.8.0189) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.970 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.203 | 3.430 |
Rmeas | 0.209 | 3.534 |
Rpim | 0.050 | 0.843 |
Number of reflections | 36208 | 2322 |
<I/σ(I)> | 10.5 | 1 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 17.6 | 17.4 |
CC(1/2) | 0.998 | 0.546 |
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. |