5M7T
Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 101.146, 101.146, 283.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.440 - 2.600 |
R-factor | 0.2037 |
Rwork | 0.203 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.545 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.440 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.092 | 2.279 |
Rpim | 0.026 | 0.634 |
Number of reflections | 46333 | |
<I/σ(I)> | 16.1 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.2 | 13.7 |
CC(1/2) | 0.590 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 0.1-0.2 M tri Ammonium citrate 16-20 % PEG 3350 |