8BDU
H33 variant of DoBi scaffold based on PIH1D1 N-terminal domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976260 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 123.131, 123.131, 190.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.530 - 2.471 |
R-factor | 0.223 |
Rwork | 0.219 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7avc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.755 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.530 | 2.710 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.126 | 3.429 |
Rmeas | 0.136 | 3.846 |
Rpim | 0.036 | 1.216 |
Number of reflections | 18374 | 919 |
<I/σ(I)> | 14.8 | 0.8 |
Completeness [%] | 69.0 | 14.8 |
Redundancy | 12.6 | 12.6 |
CC(1/2) | 0.999 | 0.224 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 1 M (NH4)2SO4 1% (w/v) PEG3350 0.1 M Bis-Tris |