8HY3
Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 198 |
Detector technology | PIXEL |
Collection date | 2021-12-30 |
Detector | DECTRIS PILATUS3 X CdTe 1M |
Wavelength(s) | 1 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 273.952, 273.952, 273.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.618 - 1.952 |
R-factor | 0.2276 |
Rwork | 0.226 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.227 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.95188-19.6181) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.030 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.448 | |
Rmeas | 0.451 | |
Rpim | 0.051 | |
Number of reflections | 64779 | 6251 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 99.8 | |
Redundancy | 76.1 | |
CC(1/2) | 0.009 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 14%-18% (v/v) PEG 4000, 0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5 |