6K8D
UDP-glucose pyrophosphorylase with UPG from Acinetobacter Baumanii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97940 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.525, 114.382, 114.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.470 - 2.940 |
R-factor | 0.2216 |
Rwork | 0.218 |
R-free | 0.27960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j49 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.484 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
Rmerge | 0.101 | 0.052 | 0.389 |
Rmeas | 0.113 | 0.057 | 0.472 |
Rpim | 0.047 | 0.022 | 0.261 |
Total number of observations | 142270 | ||
Number of reflections | 30489 | 1683 | 1414 |
<I/σ(I)> | 8.6 | ||
Completeness [%] | 97.1 | 98.1 | 92.1 |
Redundancy | 4.7 | 6.4 | 2.7 |
CC(1/2) | 0.997 | 0.087 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 287 | 0.5M Ammonium sulfate, 0.1M BIS-TRIS pH 6.5 and 24% PEG 3350 |