3W21
Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase in complex with alpha-KG from Burkholderia ambifaria AMMD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2011-02-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.593, 71.143, 147.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.800 - 1.980 |
R-factor | 0.21507 |
Rwork | 0.212 |
R-free | 0.27772 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.211 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 37009 | |
<I/σ(I)> | 56.3 | |
Completeness [%] | 98.9 | 100 |
Redundancy | 7.1 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 0.1M CHES, 30%(w/v) PEG3000, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |