7VHE
Crystal structure of the STX2a complexed with RRRA peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2018-02-04 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1000 |
Spacegroup name | P 61 |
Unit cell lengths | 146.093, 146.093, 60.792 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.730 - 1.900 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7d6r |
RMSD bond length | 0.007 |
RMSD bond angle | 0.935 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.820 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 55285 | |
<I/σ(I)> | 10.7 | 3 |
Completeness [%] | 94.7 | |
Redundancy | 18.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 4 M Sodium Formate, 100mM MES pH 6.5, 50 mM PPS |