1RFT
Crystal structure of pyridoxal kinase complexed with AMP-PCP and pyridoxamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 2002-04-25 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 103.687, 103.687, 58.604 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.218 |
Rwork | 0.214 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lhp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.860 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.110 | 0.543 |
Number of reflections | 9133 | |
<I/σ(I)> | 15.7 | 3.4 |
Completeness [%] | 99.6 | 100 |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 290 | ammonium sulphate, potassium phosphate, pyridoxamine, AMP-PCP, zinc acetate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |