6HSO
Crystal structure of the ternary complex of GephE-ADP-Glycine receptor derived peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9180 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 88.090, 99.649, 113.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.950 |
R-factor | 0.1684 |
Rwork | 0.166 |
R-free | 0.21142 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u91 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.627 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.040 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.110 | 0.527 |
Rmeas | 0.148 | 0.704 |
Rpim | 0.098 | 0.463 |
Number of reflections | 36353 | 2525 |
<I/σ(I)> | 6.9 | 2 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 3.7 | 3.5 |
CC(1/2) | 0.989 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1 Sodium acetate pH 4.5 18-36% MPD |