6TPL
D0-D1 domain of Intimin
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 | 2019-05-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 |
Unit cell lengths | 33.737, 45.325, 67.561 |
Unit cell angles | 97.08, 97.55, 99.90 |
Refinement procedure
Resolution | 24.770 - 1.800 |
R-factor | 0.1894 |
Rwork | 0.187 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f02 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.579 |
Data reduction software | xia2 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.149 | 1.862 |
High resolution limit [Å] | 1.797 | 1.797 |
Rmerge | 0.101 | 0.521 |
Rmeas | 0.118 | 0.607 |
Rpim | 0.060 | 0.310 |
Number of reflections | 32902 | 3238 |
<I/σ(I)> | 7.49 | |
Completeness [%] | 91.3 | |
Redundancy | 3.8 | |
CC(1/2) | 0.992 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Tris, pH 8.5, 0.2 MgCl2, 25% PEG 3350. Glycerol added to the reservoir only to extract additional water |