5B6A
Structure of Pyridoxal Kinasefrom Pseudomonas Aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-14 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 102.547, 102.547, 61.492 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pzs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.619 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.078 | 0.069 | 0.392 |
| Number of reflections | 24013 | ||
| <I/σ(I)> | 18.7 | ||
| Completeness [%] | 94.2 | 72.8 | 97.5 |
| Redundancy | 6 | 5.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1M Tris, pH 8.5, 1M lithium chloride, 13% (w/v) polyethylene glycol 6000 |
