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 |
