3V4Z
D-alanine--D-alanine ligase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-13 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 100.637, 100.637, 110.304 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.700 - 2.690 |
| R-factor | 0.2094 |
| Rwork | 0.205 |
| R-free | 0.28880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iow |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.871 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.600 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.091 | 0.038 | 0.890 |
| Number of reflections | 18282 | ||
| <I/σ(I)> | 7.9 | 2.43 | |
| Completeness [%] | 99.9 | 98.4 | 100 |
| Redundancy | 9.9 | 9.5 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M magnesium chloride, 0.1 M sodium cacodylate, 50% PEG-200, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
