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 |
