4DN9
CRYSTAL STRUCTURE OF putative Antibiotic biosynthesis monooxygenase from Chloroflexus aurantiacus J-10-fl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 60.511, 60.511, 135.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.050 |
R-factor | 0.162 |
Rwork | 0.159 |
R-free | 0.22560 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.309 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.127 | 0.056 | 0.883 |
Number of reflections | 30159 | ||
<I/σ(I)> | 6.3 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.8 | 7.5 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1.6M Ammonium sulfate, 0.1M MES:NaOH, pH 6.5, 10% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 298K |