7OO1
Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 169.049, 169.049, 115.106 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.200 - 3.010 |
| R-factor | 0.2468 |
| Rwork | 0.245 |
| R-free | 0.28270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 115.140 | 115.140 | 3.090 |
| High resolution limit [Å] | 3.009 | 13.460 | 3.009 |
| Rmerge | 0.139 | 0.050 | 3.167 |
| Rmeas | 0.140 | 0.051 | 3.243 |
| Rpim | 0.020 | 0.007 | 0.696 |
| Number of reflections | 37859 | 485 | 2740 |
| <I/σ(I)> | 16.3 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 46.8 | 45.6 | 21.5 |
| CC(1/2) | 1.000 | 1.000 | 0.853 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25% (w/v) PEG6000 and 0.1 M Hepes |
