4FIQ
Crystal structure of pyridoxal biosynthesis lyase PdxS from Pyrococcus horikoshii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0629 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.295, 178.558, 109.227 |
Unit cell angles | 90.00, 102.97, 90.00 |
Refinement procedure
Resolution | 19.978 - 2.700 |
R-factor | 0.1768 |
Rwork | 0.173 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1znn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.185 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.080 | 0.373 |
Number of reflections | 66140 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 100mM imidazole, 35% 2-methyl-2,4-pentanediol, 200mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |