4FIR
Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-23 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.165, 179.065, 109.359 |
| Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
| Resolution | 29.840 - 3.100 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1znn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.632 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.066 | 0.230 |
| Number of reflections | 39532 | |
| Completeness [%] | 98.5 | 85.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 297 | 100mM imidazole, 35% 2-methyl-2,4-pentanediol, 200mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
