5ZWA
Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium in complex with ADP, PL-linked to Lys233 via Schiff base in protomer A and the product (PLP) in protomer B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.260, 72.260, 244.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.230 - 2.450 |
| R-factor | 0.21728 |
| Rwork | 0.216 |
| R-free | 0.23458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zw9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.999 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.230 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.130 | 0.490 |
| Rmeas | 0.140 | 0.500 |
| Rpim | 0.030 | 0.110 |
| Number of reflections | 23479 | 3297 |
| <I/σ(I)> | 15.7 | 5.5 |
| Completeness [%] | 94.3 | 93 |
| Redundancy | 14.9 | 15.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 293 | 50% PEG 4000, 10% Glycerol, 100 mM Tris |
