6YI1
Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.85 |
Spacegroup name | H 3 2 |
Unit cell lengths | 120.380, 120.380, 331.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 88.279 - 1.920 |
R-factor | 0.1606 |
Rwork | 0.159 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2afm |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2940) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.279 | 100.000 | 2.020 |
High resolution limit [Å] | 1.920 | 50.000 | 1.920 |
Rmerge | 0.119 | 0.046 | 0.723 |
Rmeas | 0.129 | 0.060 | 0.790 |
Total number of observations | 418679 | ||
Number of reflections | 70565 | 6 | 9857 |
<I/σ(I)> | 9.89 | 26.59 | 1.79 |
Completeness [%] | 99.4 | 75 | 99.6 |
Redundancy | 5.933 | 1.833 | 5.86 |
CC(1/2) | 0.997 | 1.000 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M ammonium sulfate, 0.1M MES pH 6.5, 4% (v/v) 1,4-Dioxane |