5ZWB
Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium in complex with ADP, PL-linked to Lys233 via a Schiff base
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 73.700, 73.700, 248.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.200 |
| R-factor | 0.21175 |
| Rwork | 0.210 |
| R-free | 0.24226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.883 |
| 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] | 39.940 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.110 | 0.450 |
| Rmeas | 0.120 | 0.460 |
| Rpim | 0.030 | 0.110 |
| Number of reflections | 36036 | 5152 |
| <I/σ(I)> | 15.5 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.4 | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 293 | 50% PEG 4000, 10% Glycerol, 100mM Tris |
