9FXG
Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state
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 | 2023-12-03 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.281, 149.309, 95.711 |
Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
Resolution | 58.700 - 1.960 |
R-factor | 0.21048 |
Rwork | 0.208 |
R-free | 0.25717 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.543 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.700 | 2.000 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.102 | 0.286 |
Rmeas | 0.136 | 0.389 |
Rpim | 0.090 | 0.263 |
Number of reflections | 80418 | 4597 |
<I/σ(I)> | 6.2 | 2.7 |
Completeness [%] | 93.8 | 94.5 |
Redundancy | 2.8 | 2.6 |
CC(1/2) | 0.983 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 281 | 0.2 M ammonium sulphate and 0.1 M MES, pH 6.0 |