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 |
