4KIB
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9787, 0.9789, 0.9635 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.332, 78.062, 138.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.390 - 2.000 |
R-factor | 0.20108 |
Rwork | 0.198 |
R-free | 0.25615 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CRANK |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 45227 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 16% PEG3350, 0.2M sodium iodide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |