6HSN
Crystal structure of the ternary complex of GephE-ADP-GABA(A) receptor derived peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 86.962, 99.217, 111.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.16083 |
| Rwork | 0.159 |
| R-free | 0.19575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u90 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.833 |
| 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] | 43.480 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.074 | 0.734 |
| Rmeas | 0.095 | 0.974 |
| Rpim | 0.060 | 0.592 |
| Number of reflections | 69059 | 3337 |
| <I/σ(I)> | 9.6 | 1.6 |
| Completeness [%] | 98.7 | 97.8 |
| Redundancy | 4.5 | 4.5 |
| CC(1/2) | 0.997 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate pH 4.5 18-36 % MPD |
