6XFT
Crystal Structure of the Cys-NO Modified YopH Tyrosine Phosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.690, 54.940, 97.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.505 - 1.780 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z6b |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.690 | 1.830 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.120 | 4.129 |
Rmeas | 0.125 | 4.316 |
Rpim | 0.036 | 1.248 |
Total number of observations | 311474 | 22527 |
Number of reflections | 26185 | 1907 |
<I/σ(I)> | 11.4 | 0.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 11.9 | 11.8 |
CC(1/2) | 0.999 | 0.328 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100mM Hepes pH 70, 7.5 and 8.0 and 12-22% of PEG 3350 |