7D1P
Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-10 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.516, 73.766, 84.421 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.270 - 2.360 |
R-factor | 0.1866 |
Rwork | 0.183 |
R-free | 0.26770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mhn |
RMSD bond length | 0.013 |
RMSD bond angle | 1.620 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.440 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.116 | 0.436 |
Number of reflections | 13295 | 1183 |
<I/σ(I)> | 10.6 | 2.1 |
Completeness [%] | 98.6 | 90.6 |
Redundancy | 4.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 10%(w/v) PEG8000, 8%(v/v) ethylene glycol, 0.1 M HEPES pH 7.5 |