8BAN
Secretagogin (mouse) in complex with its target peptide from SNAP-25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2020-02-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.659, 121.068, 126.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.420 - 2.350 |
R-factor | 0.19722 |
Rwork | 0.194 |
R-free | 0.24816 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ema |
RMSD bond length | 0.015 |
RMSD bond angle | 1.730 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.420 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.098 | 0.841 |
Rpim | 0.529 | |
Number of reflections | 46202 | 4186 |
<I/σ(I)> | 11.9 | 2.1 |
Completeness [%] | 99.2 | 93 |
Redundancy | 7.3 | 5.9 |
CC(1/2) | 0.998 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | PEG 3350 (20%), 2 mM CaCl2, 0.1 M Bis-Tris-Propane pH 6.5, 25 mM Tris-HCl pH 8.0, 0.2 M NaI |