6SUT
Crystal structure of phosphothreonine MCR-2
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 | 2017-05-08 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.911 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.080, 53.570, 122.669 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.090 - 1.200 |
R-factor | 0.141659840596 |
Rwork | 0.141 |
R-free | 0.15378 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mx9 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.570 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rpim | 0.034 | 0.426 |
Number of reflections | 87793 | 4367 |
<I/σ(I)> | 11.7 | 2.3 |
Completeness [%] | 98.1 | 96.9 |
Redundancy | 10 | |
CC(1/2) | 0.998 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 0.15 M potassium bromide, 30% PEG2000MME Protein: 15 mg/ml in 10 mM NaPi pH7.0 |