3WNZ
Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Pi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 90.581, 90.581, 252.654 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.420 - 1.900 |
R-factor | 0.19899 |
Rwork | 0.197 |
R-free | 0.24301 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.342 |
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 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.069 | 0.312 |
Number of reflections | 43922 | |
<I/σ(I)> | 53.5 | 9.9 |
Completeness [%] | 88.9 | 96.5 |
Redundancy | 10.6 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 16% PEG 3350, 0.3M NaCl, 0.1M HEPES-NaOH, 5% ethylene glycol, 1mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |