7D17
Crystal structure of Macrostomum lignano glutaminyl cyclase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 84.855, 71.671, 49.902 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.466 - 2.998 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mhn |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.090 |
High resolution limit [Å] | 2.980 | 2.998 |
Rmerge | 0.196 | 0.627 |
Number of reflections | 6437 | 618 |
<I/σ(I)> | 7.9 | 2 |
Completeness [%] | 99.6 | 99 |
Redundancy | 5.3 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M sodium HEPES, pH 7.5, 70% (v/v) 2-methyl-2,4-pentanediol |