Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.539, 31.269, 64.473 |
Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
Resolution | 63.830 - 1.900 |
R-factor | 0.18274 |
Rwork | 0.180 |
R-free | 0.22492 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.008 |
RMSD bond angle | 1.354 |
Data reduction software | autoPROC (2.2.19) |
Data scaling software | Aimless (0.7.7) |
Phasing software | Arcimboldo (1.0.21) |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.830 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.038 | 0.119 |
Rmeas | 0.054 | 0.168 |
Rpim | 0.038 | 0.119 |
Number of reflections | 13477 | 846 |
<I/σ(I)> | 15.4 | 6 |
Completeness [%] | 97.7 | 96.6 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 277 | 0.9 mM peptide, 50 mM Tris, and 10 % v/v MPD, at pH 8.0. |