6DGI
The crystal structure of D-alanyl-alanine synthetase A from Vibrio cholerae O1 biovar eltor str. N16961
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.588, 64.875, 165.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.787 - 2.300 |
R-factor | 0.1792 |
Rwork | 0.177 |
R-free | 0.21940 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.632 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.071 | 0.700 |
Rmeas | 0.079 | 0.788 |
Rpim | 0.035 | 0.357 |
Number of reflections | 30876 | 1533 |
<I/σ(I)> | 22.2 | 5.51 |
Completeness [%] | 96.9 | 96.5 |
Redundancy | 4.1 | 3.9 |
CC(1/2) | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 289 | 0.2M magnesium format, 20% w/v PEG3350 |