6VU0
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FROM THE ESCHERICHIA COLI ENZYME
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03322 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 136.460, 136.460, 183.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.070 - 3.500 |
R-factor | 0.2275 |
Rwork | 0.226 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v9k |
RMSD bond length | 0.003 |
RMSD bond angle | 0.584 |
Data reduction software | MOSFLM (v7.2.2) |
Data scaling software | Aimless (v0.7.3) |
Phasing software | PHASER (v2.8.3) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.070 | 37.070 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.450 | 0.075 | 6.419 |
Rmeas | 0.483 | 0.079 | 7.688 |
Rpim | 0.164 | 0.024 | 4.128 |
Total number of observations | 285184 | 8111 | 12654 |
Number of reflections | 54988 | 780 | 4011 |
<I/σ(I)> | 3 | 20.1 | 0.2 |
Completeness [%] | 91.1 | 97.4 | 91.5 |
Redundancy | 5.2 | 10.4 | 3.2 |
CC(1/2) | 0.987 | 0.997 | 0.024 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 292 | 500 mM Ammonium sulfate, 1.00 M Lithium sulfate, 100 mM tri-Sodium citrate pH 5.6, 1.0 mM TEW |