3WO0
Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Ala
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] | 100 |
Detector technology | CCD |
Collection date | 2012-03-07 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 90.017, 90.017, 249.795 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.800 - 2.000 |
R-factor | 0.19736 |
Rwork | 0.195 |
R-free | 0.23593 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.347 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CRANK |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.020 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.068 | 0.350 |
Number of reflections | 40756 | |
<I/σ(I)> | 53.5 | 8.3 |
Completeness [%] | 98.3 | 99.4 |
Redundancy | 9 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17% PEG 3350, 0.3M NaCl, 0.1M HEPES-NaOH, 5% ethylene glycol, 1mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |