4HL9
Crystal structure of antibiotic biosynthesis monooxygenase
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 | 2012-06-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.965, 44.535, 137.913 |
Unit cell angles | 90.00, 101.03, 90.00 |
Refinement procedure
Resolution | 43.861 - 1.930 |
R-factor | 0.24087 |
Rwork | 0.239 |
R-free | 0.27339 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.335 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.063 | 0.291 |
Number of reflections | 78250 | |
<I/σ(I)> | 15.6 | |
Completeness [%] | 97.7 | 94.1 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 2.0M Ammonium Sulfate; 0.1M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |