1ZGA
Crystal structure of isoflavanone 4'-O-methyltransferase complexed with (+)-6a-hydroxymaackiain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2004-05-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97897 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 71.217, 71.217, 188.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.450 - 2.350 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 21559 | |
<I/σ(I)> | 23.5 | 5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.3 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 277.16 | PEG 8000, amonium acetate, DTT, pH 5.5, temperature 277.16K, VAPOR DIFFUSION |