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 |
