6KNL
Uridine and triphosphate-bound UGPase from acinetobacter baumannii
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 | 2018-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.464, 119.464, 108.374 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.350 - 2.320 |
| R-factor | 0.2256 |
| Rwork | 0.223 |
| R-free | 0.27990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j49 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.512 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 (5.8.0238) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.360 |
| High resolution limit [Å] | 2.320 | 6.290 | 2.320 |
| Rmerge | 0.143 | 0.086 | 0.479 |
| Rmeas | 0.147 | 0.088 | 0.516 |
| Rpim | 0.034 | 0.018 | 0.186 |
| Total number of observations | 490694 | ||
| Number of reflections | 34574 | 1887 | 1698 |
| <I/σ(I)> | 3.7 | ||
| Completeness [%] | 99.6 | 98 | 99.4 |
| Redundancy | 14.2 | 21.4 | 7.1 |
| CC(1/2) | 0.998 | 0.064 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 287 | 1.5M Ammonium citrate, 0.1M BIS-TRIS pH 6.13 and 0.1M NaCl |
