4J2W
Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot-Se)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.130, 99.400, 85.360 |
Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
Resolution | 38.600 - 2.600 |
R-factor | 0.2013 |
Rwork | 0.198 |
R-free | 0.25850 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.277 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SOLVE |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.600 | 2.710 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.093 | 0.755 |
Number of reflections | 29704 | |
<I/σ(I)> | 12 | 2.1 |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | Initial crystals of Saccharomyces cerevisiae KMO KMO-396Prot-Se were obtained by mixing 200 nl of 14 mg/ml protein in 20 mM ammonium acetate, pH 7.0, 150 mM NaCl and 7 mM 2-mercaptoethanol (buffer A) with 200 nl of a reservoir solution containing 0.1 M sodium acetate, pH 5.5, and 35 % isopropanol. , VAPOR DIFFUSION, SITTING DROP, temperature 277K |