6V9K
CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-09-20 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.380, 69.530, 84.657 |
Unit cell angles | 90.00, 108.73, 90.00 |
Refinement procedure
Resolution | 42.815 - 1.900 |
R-factor | 0.1627 |
Rwork | 0.161 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xz7 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14.3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.820 | 42.820 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.108 | 0.025 | 0.835 |
Rmeas | 0.117 | 0.027 | 0.904 |
Rpim | 0.044 | 0.010 | 0.342 |
Total number of observations | 348445 | 3242 | 22234 |
Number of reflections | 49363 | 473 | 3212 |
<I/σ(I)> | 15.3 | 52.4 | 2.3 |
Completeness [%] | 99.0 | 96.9 | 99.8 |
Redundancy | 7.1 | 6.9 | 6.9 |
CC(1/2) | 0.998 | 1.000 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.0 and 20% w/v PEG 6000 |